論文 - 井田 隆
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Deconvolutional treatment about sample transparency aberration interfered by opaque and translucent sample holders in Bragg-Brentano geometry 査読あり
Takashi Ida
Powder Diffraction 39 ( 4 ) 2024年12月
担当区分：筆頭著者, 責任著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
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Bragg-Brentano 型粉末回折装置の試料透過性収差 に及ぼす側壁遮蔽効果の影響 査読あり
井田隆
名古屋工業大学先進セラミックスセンター年報 12 34 - 38 2024年07月
担当区分：筆頭著者, 責任著者 記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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Lotgering 因子 査読あり
井田隆
名古屋工業大学 先進セラミックス研究センター 年報 11 44 - 47 2023年07月
担当区分：筆頭著者, 責任著者 記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
その他リンク： http://www.crl.nitech.ac.jp/ar/2022/4447_acrc_ar2022_review.pdf
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Powder X-ray diffraction intensities of corundum calculated by conventional and density functional theory methods and extracted by deconvolutional treatment on experimental data 査読あり
Takashi Ida
Powder Diffraction 38 ( 2 ) 81 - 89 2023年06月
担当区分：筆頭著者, 責任著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
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Convolution and deconvolutional treatment on sample transparency aberration in Bragg-Brentano geometry 査読あり
Takashi Ida
Powder Diffraction 37 ( 1 ) 13 - 21 2022年03月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
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Continuous series of symmetric peak profile functions determined by standard deviation and kurtosis 査読あり 国際誌
Takashi Ida
Powder Diffraction 36 ( 4 ) 2021年12月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
A mathematical system for modeling the effects of symmetrized instrumental aberrations has been developed. The system is composed of the truncated Gaussian, sheared Gaussian and Rosin-Rammler type functions. The shape of the function can uniquely be determined by the standard deviation and kurtosis. A practical method to evaluate the convolution with the Lorentzian function and results of application to analysis of experimental powder diffraction data are briefly described.
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Equatorial aberration for powder diffraction data collected by continuous scan of a silicon strip X-ray detector 招待あり 査読あり 国際誌
Takashi Ida
Powder Diffraction 64 ( 3 ) 169 - 175 2021年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
Application of continuous-scan integration to collect X-ray diffraction data with a Si strip X-ray detector (CSI-SSXD) introduces additional effects on the peak-shift and deformation of peak shape caused by the equatorial aberration. A deconvolutional method to correct the effects of equatorial aberration in CSI-SSXD data is proposed in this study. There are four critical angles related to the effects of spill-over of the incident X-ray beam from the specimen face in the CSI-SSXD data. Exact values of cumulants of the equatorial aberration function are efficiently evaluated by 4×4 point two-dimensional Gauss-Legendre integral. A naïve two-step deconvolutional method has been applied to remove the effects of the first and third-order cumulants of the equatorial aberration function from the observed CSI-SSXD data. The performance of the algorithm has been tested by analyses of CSI-SSXD data of three LaB6 powder specimens with the widths of 20, 10 and 5 mm, collected with a diffractometer with the goniometer radius of 150 mm.
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Application of deconvolutional treatment to powder diffraction data collected with a Bragg-Brentano diffractometer with a contaminated Cu target with a Ni filter 査読あり
Takashi Ida
Powder Diffraction 35 ( 03 ) 166 - 177 2020年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
A deconvolutional method for preprocessing powder diffraction data has been improved. The cumulants of instrumental aberration functions of Bragg-Brentano (Parrish) diffractometer calculated up to the fourth order are presented. The treatments of axial-divergence aberration and the effective spectroscopic profilee of the source X-ray have been simplified from those used in the previous methods. The current method has been applied to powder diffraction data collected with a Cu-target X-ray tube, used over 20 years, and a N-foil K_beta filter.
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Equatorial aberration of powder diffraction data collected with an Si strip X-ray detector by a continuous-scan integration method 査読あり 国際誌
T. Ida
Journal of Applied Crystallography 53 679 - 685 2020年05月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Union of Crystallography
Exact and approximate mathematical formulas of equatorial aberration for powder diffraction data collected with an Si strip X-ray detector in continuous-scan integration mode are presented. An approximate formula is applied to treat the experimental data measured with a commercial powder diffractometer.
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Takashi Ida, Shoki Ono, Daiki Hattan, Takehiro Yoshida, Yoshinobu Takatsu, Katsuhiro Nomura
Powder Diffraction 33 ( 2 ) 80 - 87 2018年06月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
A method to remove small CuKβ peaks and step structures caused by NiK-edge absorption as well as CuKα2 sub-peaks from powder diffraction intensity data measured with Cu-target X-ray source and Ni-foil filter is proposed. The method is based on deconvolution–convolution treatment applying scale transform of abscissa, Fourier transform, and a realistic spectroscopic model for the source X-ray. The validity of the method has been tested by analysis of the powder diffraction data of a standard LaB6 powder (NIST SRM660a) sample, collected with the combination of CuKα X-ray source, Ni-foil Kβ filter, flat powder specimen and one-dimensional Si strip detector. The diffraction intensity data treated with the method have certainly shown background intensity profile without CuKβ peaks and NiK-edge step structures.
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Takashi Ida, Shoki Ono, Daiki Hattan, Takehiro Yoshida, Yoshinobu Takatsu, Katsuhiro Nomura
Powder Diffraction 33 ( 2 ) 121 - 133 2018年06月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
An improved method to correct observed shift and asymmetric deformation of diffraction peak profile caused by the axial-divergence aberration in Bragg–Brentano geometry is proposed. The method is based on deconvolution–convolution treatment applying scale transform of abscissa, Fourier transform, and cumulant analysis of an analytical model for the axial-divergence aberration. The method has been applied to the powder diffraction data of a standard LaB6 powder (NIST SRM660a) sample, collected with a one-dimensional Si strip detector. The locations, widths and shape of the peaks in the deconvolved–convolved powder diffraction data have been analyzed. The finally obtained whole powder diffraction pattern ranging from 10° to 145° in diffraction angle has been simulated by the Pawley method applying a symmetric Pearson VII peak profile model to each peak with ten background, two peak-shift, three line-width, and two peak-shape parameters, and the Rp value of the best fit has been estimated at 4.4%.
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Removal of small parasite peaks in powder diffraction data by a multiple deconvolution method 査読あり 国際誌
Takashi Ida, Shoki Ono, Daiki Hattan, Takehiro Yoshida, Yoshinobu Takatsu, Katsuhiro Nomura
Powder Diffraction 33 ( 2 ) 108 - 114 2018年06月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
Four series of small parasite peaks observed in powder diffraction data recorded with a Cu-target X-ray tube and a Ni filter on the diffracted beam side in Bragg–Brentano geometry are investigated. One series of the parasite peaks is assigned to the tungsten Lα-emission. Other three types of the parasite peak series are likely to be caused by the K-emissions of Ni, but the peak locations are deviated from those predicted by the Bragg's law. An empirical formula to locate the parasite peaks and a method to remove them from observed powder diffraction data are proposed. The method is based on the whole-pattern deconvolution–convolution treatment on the transformed scale of abscissa. The parameters optimized for the diffraction data measured for Si powder has been applied on treatment of the data of LaB6 powder recorded under the same experimental conditions. It has been confirmed that the parasite peaks in the observed data can effectively be removed by the deconvolution treatment with parameters determined by a reference measurement.
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Phase transition behavior of (K,Na) Nb O3 - based high-performance lead-free piezoelectric ceramic composite with different phase compositions depending on Na fraction 査読あり
Hideto Yamada, Takayuki Matsuoka, Masato Yamazaki, Kazushige Ohbayashi, Takashi Ida
Japanese Journal of Applied Physics 57 ( 1 ) 011502 2018年01月
記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：The Japan Society of Applied Physics
The structures of the main (K1− x Nax)NbO3 perovskite in a high-performance lead-free piezoelectric ceramic composite (K1− x Nax)0.86 Ca0.04 Li0.02 Nb0.85 O3−δ–K0.85 Ti0.85 Nb1.15 O5 – Ba Zr O3 – MgO – Fe2 O3 (x = 0.52 and 0.70) with trace amounts of Li Mg Fe Ti O4 inverse spinel and (Li,K)2 (Mg,Fe,Ti,Nb)6 O13 layered structure have been investigated by transmission electron microscopy (TEM) and synchrotron powder X-ray diffractometry (XRD) with varying temperatures. The bright-field TEM images have shown tetragonal 90°-domain contrasts at 80 and 40 °C, and the XRD profile has been simulated by adding an average structure of two differently oriented tetragonal structures bound by a 90°-domain wall for the x = 0.52 sample. Aggregates of tilted NbO6 nanodomains have been observed in a high-resolution TEM image, and the crossover of P4mm–Amm2 features from 60 to 20 °C and diffuse 2 × 2 × 2 superlattice reflections of the tilted NbO6 Imm2 structure have been observed in XRD data for the x = 0.70 sample.
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Analysis of powder diffraction data collected with synchrotron x-ray and multiple 2D x-ray detectors applying a beta-distribution peak profile model 査読あり 国際誌
T. Ida, K. Wachi, D. Hattan, S. Ono, S. Tachiki, Y. Nakanishi, Y. Sakuma, A. Wada, S. Towata
Powder Diffraction 32 ( 3 ) S172 2017年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス） 出版者・発行元：International Centre for Diffraction Data
A powder diffraction measurement system constructed on a beam-line BL5S2 at Aichi Synchrotron Radiation Center in Seto, Japan, has been modified for extensive use of two-dimensional (2D) X-ray detectors. Four flat 2D detectors are currently mounted on the movable stages on supporting rods radially attached to the 2Θ-wheel of the goniometer with the interval of 25°. The 2D powder diffraction intensity data are reduced to conventional 1D format of powder diffraction data by the method based on averaging of the pixel intensities with geometrical corrections, which also enables evaluation of standard uncertainties about the reduced intensity data. The 1D powder diffraction data of a 0.1 mm-capillary LaB6 (NIST SRM660b) sample obtained at the camera length of 340 mm have shown almost symmetric peak profile with slight asymmetry simulated by a beta-distribution profile function.
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Crystal structure and phase transition behavior in (K1-x)NbO3-based lead-free piezoelectric ceramic over a wide range of temperatures 査読あり 国際誌
H. Yamada, T. Matsuoka, H. Kozuka, M. Yamazaki, K. Ohbayashi, T. Ida
Journal of Applied Physics 120 214102 2016年12月
記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：American Institute of Physics
The phase transition temperature in a (K, Na)NbO3 (KNN) phase of a KNN-based composite lead-free piezoelectric ceramic with a KTiNbO5 system ((K1−xNax)0.86Ca0.04Li0.02Nb0.85O3−δ–K0.85Ti0.85Nb1.15O5–BaZrO3–Co3O4–Fe2O3–ZnO) is lower than that in an undoped KNN ceramic by approximately 200 °C. We have studied the structural changes around the phase transition by using synchrotron powder X-ray diffraction and transmission electron microscopy. The crystal system of the main KNN phase is assigned to tetragonal as a stable structure at room temperature and does not change to orthorhombic on lowering the temperature all at once. The crystal structure changes from tetragonal to orthorhombic through the successive transition state. The curve of the phase transition temperature from x = 0.33 to 0.75 has a V shape and reaches its lowest value of approximately 0 °C in the vicinity of x = 0.56. From selected-area electron diffraction patterns of the KNN phase, weak superlattice spots owing to the tilt-ordered NbO6 octahedra are observed for x ≥ 0.56. This tilt-ordered NbO6 octahedral phase is formed at the nanometer-scale (nanodomains) in the tetragonal and orthorhombic KNN matrices, regardless of the phase transition. The minimum x to generate the nanodomains is substantially equal to the Na fraction at which the starting temperature of the successive phase transition shifts to the lowest.
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ギ酸で安定化させたアルミナ前駆体水溶液の乾燥方法がα-Al2O3への相転移と粒子形態に及ぼす影響 査読あり
吉田道之,加藤雄太,櫻田修,尾畑成造,井田隆,田中誠,北岡諭
粉体工学会誌 53 ( 9 ) 571 - 576 2016年09月
記述言語：日本語 掲載種別：研究論文（学術雑誌） 出版者・発行元：粉体工学会
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Experimental estimation of uncertainties in powder diffraction intensities with a two-dimensional X-ray detector 査読あり 国際誌
Takashi Ida
Powder Diffraction 31 ( 3 ) 216 - 222 2016年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌） 出版者・発行元：International Centre for Diffraction Data
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Improvement of the Piezoelectric Properties in (K, Na)NbO3-Based Lead-Free Piezoelectric Ceramic With Two-Phase Co-Existing State （共著） 査読あり
H. Yamada, T. Matsuoka, H. Kozuka, M. Yamazaki, K. Ohbayashi, T. Ida
Journal of Applied Physics 117 ( 21 ) 214102 2015年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
添加物を加えた (K, Na)NbO3 系圧電体の結晶構造と微細組織が Na の分率によってどのように変化するかをシンクロトロン粉末回折と制限視野電子回折，高分解能透過電子顕微鏡観察によって調べた。低 Na 分率では室温で強誘電性を持つ正方晶が安定であったが，高 Na 分率では配位八面体のティルトを伴う斜方晶相が共存し始め，中間的な Na 分率領域で比較的大きな誘電率と電気機械結合定数を示すことがわかった。
DOI： 10.1063/1.4921860
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Effect of Preferrred Orientation in Synchrotron X-ray Powder Diffraction 査読あり
Takashi Ida
名古屋工業大学先進セラミックス研究センター年報 2 7 - 11 2014年06月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（大学，研究機関等紀要）
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Analytical method for observed powder diffraction intensity data based on maximum likelihood estimation 招待あり 査読あり
T. Ida, F. Izumi
Powder Diffraction Journal 28 ( 2 ) 124 - 126 2013年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
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Powder x-ray structure refinement applying a theory for particle statistics 招待あり 査読あり
Takashi Ida
Solid State Phenomena 203-204 3 - 8 2013年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
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粉末X線回折法による相組成分析と球形試料の吸収補正 査読あり
井田隆
名古屋工業大学先進セラミック研究センター年報 2013年03月
記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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Particle Statistics in Rotating-Specimen Powder Diffractometry
Takashi Ida
Photon Factory Activity Report 2011 Part B 401 - 401 2013年01月
記述言語：英語 掲載種別：研究論文（その他学術会議資料等）
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最尤推定に基づく新しい粉末構造解析法 査読あり
井田隆
名古屋工業大学セラミックス基盤工学研究センター年報 2012年03月
記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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Application of a theory for particle statistics to structure refinement from powder diffraction data（共著） 査読あり
T. Ida, F. Izumi
Journal of Applied Crystallography 44 ( 5 ) 921 - 927 2011年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
最尤推定法と統計誤差モデルを用いることにより、従来用いられてきたリートベルト法より優れた構造精密化法を開発した。公開されている粉末回折データに適用し、この方法で最適化された構造はリートベルト法の結果よりむしろ単結晶構造解析の結果に近くなる傾向が見出された。
DOI： 10.1107/S0021889811031013
その他リンク： http://scripts.iucr.org/cgi-bin/paper?S0021889811031013
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Particle statistics of capillary specimen in synchrotron powder diffractometry 査読あり
T. Ida
Journal of Applied Crystallography 44 ( 5 ) 911 - 920 2011年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
キャピラリ試料を用いた軌道放射光粉末回折測定で観測される強度の統計分布から、平均的な結晶粒径だけでなく粒径分布の広がりも評価できることを示した。
DOI： 10.1107/S002188981102824X
その他リンク： http://scripts.iucr.org/cgi-bin/paper?S002188981102824X
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Particle statistics in synchrotron powder diffractometry 査読あり
T. Ida, T. Goto, H. Hibino
Zeitschrift fur Kristallographie Proceedings 1 69 - 74 2011年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
軌道放射光粉末回折における粒子統計の効果について実験的に調査した。
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Evaluation of crystallite size distribution by a capillary spinner-scan method in synchrotron powder diffractometry（共著） 招待あり 査読あり
T. Ida, T. Goto, H. Hibino
IOP Scinence Conf. Ser.: Mater. Sci. Eng. 18 02202 - 02202 2011年05月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
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Crystal structures of solid solution (Ba1-xCax)(Sc1/2Nb1/2)O3 system（共著） 査読あり
H. Nakano, T. Ida, M. Takemoto, H. Ikawa
IOP Conference Series: Materials Science and Engineering 18 022002 2011年05月
記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
広い範囲で固溶体を形成し、特異な誘電特性を示す (Ba1-xCax)(Sc1/2Nb1/2)O3 化合物の構造を、電子回折および軌道放射光粉末回折で調べた。
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Efficiency in the calculation of absorption corrections for cylinders 査読あり
T. Ida
Journal of Applied Crystallography 43 ( 5 ) 1124 - 1125 2010年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
ガラスキャピラリに封入された結晶性粉末試料の吸収補正を計算するための効率の高い方法を見出した。
DOI： 10.1107/S0021889810021199
その他リンク： http://scripts.iucr.org/cgi-bin/paper?S0021889810021199
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軌道放射光粉末回折測定における粒子統計の効果（共著）
井田隆,後藤大士,日比野寿
名古屋工業大学セラミックス基盤工学研究センター年報 9 1 - 7 2010年03月
記述言語：日本語 掲載種別：研究論文（その他学術会議資料等）
シンクロトロン軌道放射光をＸ線源として用いた場合の粉末回折測定における粒子統計に関する理論的な側面について述べた。非対称反射法にもキャピラリ透過法にも適用できる一般性の高い理論を構築した。観測回折強度の統計分布における歪度は粉末試料中の結晶子サイズ分布の分散に関係付けられる。
その他リンク： http://www.crl.nitech.ac.jp/ar/2009/0000\crl\ar2009\cover
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Evaluation of particle statistics in powder diffractometry by a spinner-scan method（共著） 査読あり
T. Ida, T. Goto, H. Hibino
J. Appl. Cryst. 42 ( 4 ) 597 - 606 2009年08月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The uncertainty in measured diffraction intensities caused by particle statistics, which originates from the limited number of crystallites satisfying the diffraction condition, has been evaluated by a step-scan measurement about the rotation angle of a specimen-spinning attachment of a laboratory powder X-ray diffractometer. The residual statistical variance of the spinner-scan intensity data, after subtraction of periodic drift and variance caused by counting statistics, was assigned to the variance caused by particle statistics. Particle statistics for a standard Si powder (NIST SRM640c) and three size fractions (nominally 3-7, 8-12 and 18-22 µm in Stokes diameter) of quartz powder separated by a sedimentation method have been analysed by scanning electron microscopy (SEM) and the spinner-scan method using a powder X-ray diffractometer. It has been confirmed that the observed ratio of the squared diffraction-peak intensity to the variance caused by particle statistics is proportional to the multiplicity of reflections predicted by the crystal structure. The spinner-scan intensity data for the standard Si powder (NIST SRM640c), the effective particle diameter of which was estimated at 5.6 µm by SEM image analysis, was used as the standard for crystallite-size evaluation of quartz powder based on analysis of spinner-scan data. The effective crystallite diameters of the three quartz powder samples have been estimated at 6.5 (2), 11.7 (2) and 22.8 (2) µm by the analysis of the spinner-scan data, while the effective particle diameters evaluated by SEM image analysis are 7.1, 12 and 25 µm, respectively. Other possible applications of the analysis of particle statistics based on the spinner-scan method are also discussed.
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Isolation of Solid Solution Phases in Size-Controlled LixFePO4 at Room Temperature（共著） 査読あり
G. Kobayashi, S. Nishimura, M. Park, R. Kanno, M. Yashima, T. Ida, A. Yamada
Adv. Funct. Mater. 18 ( 3 ) 395 - 403 2009年02月
記述言語：英語 掲載種別：研究論文（学術雑誌）
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Statistical properties of measured X-ray intensities affected by counting loss 査読あり
T. Ida
J. Appl. Cryst. 41 ( 6 ) 1019 - 1023 2008年12月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The statistical properties of X-ray intensities measured with counting systems have been experimentally investigated. A formula of statistical variance for the intermediately extended dead-time model is proposed and compared with the experimentally evaluated variance obtained from repeated measurements based on Chipman's foil method applied to X-ray detection systems of laboratory and synchrotron powder diffractometers. It has been found that the variance of the observed intensities is smaller than the average of count, as has been suggested by conventional theoretical models for counting loss. It is shown that the statistical errors can be predicted by applying an intermediately extended dead-time model including dead-time [tau] and degree of extension [rho] as fixed parameters.
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New measures of sharpness for symmetric powder diffraction peak profiles 査読あり
T. Ida
J. Appl. Cryst. 41 ( 2 ) 393 - 401 2008年04月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
New measures of sharpness for symmetric powder diffraction peak profiles are proposed. The sharpness parameter is defined through the \nuth-order moment of the Fourier transform of the profile function. Analytical expressions for the sharpness parameter for empirical model profile functions, namely the Gaussian, logistic distribution, hyperbolic secant, Lorentzian, Voigt, Pearson VII and pseudo-Voigt functions, and theoretical size-broadening profiles with statistical size distribution are presented. Theoretical diffraction profiles with complicated formulae can be approximated by empirical model functions assuming equivalent values of the sharpness parameter. The concept of the sharpness parameter provides a simple way to define an approximation for a theoretical diffraction peak profile with empirical model functions.
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検出システムの数え落しの影響を受けた観測強度データの統計的な性質（共著） 査読あり
井田 隆, 大矢哲久, 日比野 寿
名古屋工業大学セラミックス基盤工学研究センター年報 7 1 - 15 2008年03月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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検出器多連装型高分解能回折計を用いた放射光粉末回折測定の進展 査読あり
井田隆
日本結晶学会誌 49 ( 6 ) 347 - 353 2007年12月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（学術雑誌）
Recent development of synchrotron powder diffractometry with a high resolution powder diffractometer with multiple-detector system (MDS) on the beemline BL-4B2 at the KEK Photon Factory (PF) in Tsukuba is described. Practical methods for analyzing the MDS data, including (i) precise evaluation and correction for counting-loss of detection systems, (ii) connection of segmented intensity data, (iii) deconvolution of instrumental aberration, and (iv) evaluation and removal of asymmetry in the spectroscopic distribution of the source X-ray, have been originally developed for the MDS diffractometer. It is shown that the KEK-PF MDS powder diffractometer has become a more advanced tool for precise and detailed evaluation of crystalline materials.
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Monte Carlo simulation of the effect of counting losses on measured x-ray intensities 査読あり
T. Ida
J. Appl. Cryst. 40 ( 5 ) 964 - 965 2007年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The statistical properties of intensities affected by counting loss based on conventional non-extended and extended dead-time models are examined by a Monte Carlo method. It has been confirmed that the variance of the counted pulses for the non-extended dead-time model with the rate of generated pulses r and the dead-time [tau] is given by \sigma_{\rm non}^2 = \mu_{\rm non}/(1+r \tau)^2, while that for the extended dead-time model is given by \sigma_{\rm ext}^2 = \mu_{\rm ext} [1 - 2r\tau \exp(-r \tau)], as proposed by Laundy & Collins [(2003). J. Synchrotron Rad. 10, 214-218], for the mean values of counted pulses [mu]non and [mu]ext, respectively. Practical formulae to estimate the statistical errors of the corrected intensities are also presented.
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Ｘ線回折法による結晶子サイズ分布解析 - ビス（アセチルアセトナト）亜鉛を出発物質とする ZnO ナノ単結晶を例に -（共著） 査読あり
小中 尚, 佐々木明登, 稲葉克彦, 井田 隆, 羽賀浩一, 宍戸統悦
J. Flux Growth 2 ( 1 ) 41 - 44 2007年06月
記述言語：日本語 掲載種別：研究論文（学術雑誌）
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粉末回折ピーク形状の「尖り度」を特徴づける新しいパラメータ 査読あり
井田 隆
名古屋工業大学 セラミックス基盤工学研究センター年報 6 1 - 11 2007年04月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
New parameters to specify the sharpness of symmetric powder diffraction peak profiles are proposed. The parameters are defined through the ν-th order moment of the Fourier transform of the profile function. The exact solutions about typical model profile functions and theoretical size-broadening profile with statistical size-distribution are presented. Examination of the difference between the theoretical size-broadening profile and the Lorentzian function with the common sharpness parameters suggests that the order of ν = -1/2 is suitable to approximate the size-broadening profile with alternative model functions.
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The effect of oxygen pressure on the synthesis of LiNiO2（共著） 査読あり
B.H. Kim, J.H. Kim, M.Y. Song, Takashi Ida, N. Ishizawa
Solid State Phenomena 124-126 1043 - 1046 2006年12月
記述言語：英語 掲載種別：研究論文（学術雑誌）
To investigate the effect of oxygen pressure on the synthesis of LiNiO2 cathode material for Li secondary battery, powder was prepared by emulsion method and calcined at 750°C for 24 h under various oxygen gas pressures. LiNiO2 single phase could be synthesized under oxygen pressure of 101.3~103.3 kPa but not under air atmosphere. Cation mixing in Li site of LiNiO2 lowered as oxygen pressure increased and was saturated around 103.3 kPa. The lowest cation mixing, 7.0% of Ni3+ in the Li site was obtained at 750°C for 24 h under 103.3 kPa of oxygen pressure.
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検出器多連装型高分解能軌道放射光粉末回折計により測定された回折データの解析法の開発（共著）
井田隆, 日比野寿
名古屋工業大学 セラミックス基盤工学研究センター年報 5 1 - 11 2006年04月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
A new analytical method to obtain a series of aberration-free diffraction intensity data from the segmented intensity data collected with a high-resolution synchrotron X-ray powder diffractometer with a multiple-detector system has been developed. The method includes (i) adjustment of variation in peak profiles measured with different detectors, (ii) deconvolution of axial-divergence aberration, and (iii) removal of asymmetry introduced by the aberration of the beamline optics. The method has been applied to analyze the diffraction intensity data of a ZnO powder sample (NIST SRM674) measured with a multiple-detector diffractometer (MDS) on the beamline 4B2 at the Photon Factory, KEK in Tsukuba. The characteristics of the beamline aberration had been separately evaluated by analyzing the diffraction intensity data of Si powder (NIST SRM640b). It has been confirmed that the observed asymmetry caused by the aberrations of the beamline-optics and the diffractometer can certainly be removed by the method.
As a result, the integrated diffraction intensity can easily be evaluated by profile fitting method based on application of a simple symmetric model profile function. -
A compact furnace for synchrotron powder diffraction experiments up to 1800 K（共著） 査読あり
Masatomo Yashima, Kenjiro Oh-uchi, Masahiko Tanaka, Takashi Ida
J. Am. Ceram. Soc. 89 ( 4 ) 1395 - 1399 2006年04月
記述言語：英語 掲載種別：研究論文（学術雑誌）
A new electric furnace has been designed and fabricated for measurements of the high-resolution synchrotron radiation powder diffraction profiles from materials at high temperatures up to 1807 K in air, suitable for the multiple-detector system installed at the BL-4B2 experimental station of the Photon Factory, Tsukuba, Japan. In the present study, at 1703 K in air, the whole powder pattern of National Institute of Standard and Technology ceria powder was step scanned at a step interval of 0.004° in 2θ, by the counting time of 1.5 s/step and with a monochromatized 1.205363(5) Å X-ray, in just 7 h. The full width at half-maximum of the 111 reflection of the ceria was narrow (0.0139°). The δd/d resolution of the ceria ranged from 0.058% to 0.126% at 1703 K, where d and δd are the lattice spacing and peak width, respectively. Precise unit-cell parameter 5.51259(1) Å and the atomic displacement parameters were refined by the Rietveld analysis of the powder data measured at 1703 K. An electron-density map of ceria at 1703 K was obtained by the maximum-entropy method.
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Symmetrization of diffraction peak profiles measured with a high-resolution synchrotron X-ray powder diffractometer（共著）
T. Ida, H. Hibino
J. Appl. Cryst. 39 ( 1 ) 90 - 100 2006年02月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
An analytical method to obtain symmetric peak profiles from experimental data with asymmetric peak profiles measured with a high-resolution synchrotron X-ray powder diffractometer has been developed. The method has successfully been applied to the diffraction intensity profiles of a ZnO powder sample measured with a synchrotron X-ray powder diffractometer on beamline BL4B2 at the Photon Factory.
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A non-centrosymmetric polymorph of Gd3RuO7（共著） 査読あり
N. Ishizawa, K. Hiraga, D. du Boulay, H. Hibino, T. Ida, S. Oishi
Acta Cryst. E 62 ( 1 ) i13 - i16 2006年01月
記述言語：英語 掲載種別：研究論文（学術雑誌）
A new non-centrosymmetric modification has been found for trigadolinium ruthenium heptaoxide, Gd3RuO7, crystallizing in the space group P21nb. The structure is composed of infinite single chains of corner-linked [RuO6] octahedra embedded in the [Gd3O] matrix. The octahedra in the P21nb modification have two tilt systems about the a and c axes, in contrast to the previously reported Cmcm modification [Bontchev et al. (2000). Phys. Rev. B, 62, 12235-12240], with only one tilt system about the a axis. Changes in the coordination of Gd atoms in the title compound are closely related to the tilting mechanism about the c axis.
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A compact furnace for synchrotron powder diffractioin measurements up to 1807 K（共著） 査読あり
M. Yashima, M. Tanaka, K. Oh-uchi, T. Ida
J. Appl. Cryst. 38 ( 5 ) 854 - 855 2005年10月
記述言語：英語 掲載種別：研究論文（学術雑誌）
A compact furnace has been designed and fabricated for measurements of high-resolution synchrotron radiation powder diffraction profiles from materials at high temperatures up to 1807 K in air, suitable for the multiple-detector system installed at the BL-4B2 experimental station of the Photon Factory in Tsukuba, Japan
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Connection of segmented intensity data measured with a multiple-detector system for powder diffractometry 査読あり
T. Ida
J. Appl. Cryst. 38 ( 5 ) 795 - 803 2005年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
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Correction for counting losses in X-ray diffractometry（共著） 査読あり
T. Ida, Y. Iwata
J. Appl. Cryst. 38 ( 3 ) 426 - 432 2005年06月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
Non-extended and extended dead-time models, a pulse-height analyser (PHA) windowing model, and a model intermediate between the non-extended and extended models for losses in counting methods are compared. The validities of the methods are examined by application to the analysis of powder diffraction peak intensity profiles measured by a foil method. The intermediate model including parameters for the dead-time and degree of extension can reproduce both the non-extended and the extended models and also intermediate dependence between the two models. A convenient approximate formula for the intermediate model, the maximum relative deviation of which is 0.0003, is also proposed. The determination of the parameters and a correction for the measured intensities can easily be achieved by applying the approximate model, because it provides simple formulae for the correction function expressed as a combination of elementary functions. Experimental and analytical methods for precise evaluation of the parameters to specify the counting losses are also presented. Systematic deviations of the observed dependence from the non-extended and extended dead-time models have been detected by the precise analyses of experimental data, while the PHA windowing model, intermediate model and its approximation have reproduced the observed dependence within the experimental errors.
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T. Fukano, T. Motohiro, T. Ida, H. Hashizume
J. Appl. Phys. 97 084316 2005年04月
記述言語：英語 掲載種別：研究論文（学術雑誌）
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粉末Ｘ線回折ピーク形状における有限な結晶粒サイズの効果
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名古屋工業大学セラミックス基盤工学研究センター年報 3 23 - 35 2004年04月
記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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ラマン分光法によるBaTiO3ナノ粒子の誘電特性の評価（共著） 査読あり
大野智也,鈴木大輔,鈴木久男,井田隆
粉体工学会誌 41 ( 2 ) 86 - 91 2004年02月
記述言語：日本語 掲載種別：研究論文（学術雑誌）
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Deconvolution of synchrtron powder diffraction data
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Photon Factory Activity Report 2002 - Part B - 20 ( 2 ) 208 2003年11月
記述言語：英語 掲載種別：研究論文（その他学術会議資料等）
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Diffraction peak profiles from spherical crystallites with lognormal size distribution（共著） 査読あり
T. Ida, S. Shimazaki, H. Hibino, H. Toraya
J. Appl. Cryst. 36 ( 5 ) 1107 - 1115 2003年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
An efficient and accurate method to evaluate the theoretical diffraction peak profiles from spherical crystallites with lognormal size distribution (SLN profile) is presented. Precise results can be obtained typically by an eight-term numerical integral for any values of the parameters, by applying an appropriate substitution of the variable to the integral formula. The calculated SLN profiles have been verified by comparison with those calculated by inverse Fourier transform from the exact analytical solution of the Fourier-transformed SLN profile. It has been found that the shape of the SLN profile strongly depends on the variance of size distribution. When the logarithmic standard deviation [omega] of the size distribution is close to 0.76, the SLN profile becomes close to a Lorentzian profile, and `super-Lorentzian' profiles are predicted for larger values of [omega], as has been concluded by Popa & Balzar [J. Appl. Cryst. (2002), 35, 338-346]. The intrinsic diffraction peak profiles of an SiC powder sample obtained by deconvolution of the instrumental function have certainly shown `super-Lorentzian' line profiles, and they are well reproduced by the SLN profile for the value [omega] = 0.93.
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デコンボリューションによる粉末Ｘ線回折データからの装置収差の除去 招待あり 査読あり
井田隆
日本結晶学会誌 45 ( 4 ) 249 - 255 2003年08月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（学術雑誌）
A novel method for eliminating instrumental aberrations from powder X-ray diffraction data has been developed. The method is based on fast Fourier transformation (FFT) combined with abscissa-scale transformation appropriately modeled for each instrumental aberration. All the main aberrations of laboratory powder diffractometer with Bragg-Brentano geometry, (1) Ka2 subpeak, (2) axial-divergence aberration,（3）flat-specimen aberration, and (4) sample transparency effect, can be automatically removed from the whole powder diffraction data ranging wide diffraction angles in quite a simple procedure. Propagation of the statistical errors attached to the source data through the Fourier transformation is also discussed.
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Quantitative basis for the rocking-curve measurement of preferred orientation in polycrystalline thin films（共著） 査読あり
H. Toraya, H. Hibino, T. Ida, N. Kuwano
J. Appl. Cryst. 36 ( 3 ) 890 - 897 2003年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
A quantitative basis for the rocking-curve measurement of the preferred orientation in polycrystalline thin films is presented. Gaussian functions are used for modeling the density distribution of the normals to the crystal plane around the normal to the specimen surface. An intensity formula for the rocking curve is derived from the kinematical theory applied to the case of asymmetric Bragg reflection. The density distribution is determined by the least-squares fit of a theoretical rocking curve to the observed curve, and a volume fraction of crystallites, whose normals to the crystal plane are present within a defined angular range, can be obtained from it. AlN and Au polycrystalline thin films were used for testing the present procedure. Parameter values of the model function, refined using both synchrotron radiation and laboratory X-rays, agree well with each other within the experimental errors although these intensity data sets were collected under different experimental conditions in instrumentation and wavelength. A distribution of depth-dependent preferred orientation in the AlN thin film was revealed by using double-layer and multiple-layer models. A very small degree of preferred orientation in Au thin films could also be measured. Parallel-beam optics and integrated intensities instead of peak height intensities are important for reliable rocking curve measurement.
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Deconvolution of instrumental aberrations for synchrotron powder X-ray diffractometry（共著） 査読あり
T. Ida, H. Hibino, H. Toraya
J. Appl. Cryst. 36 ( 2 ) 181 - 187 2003年04月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
A method to deconvolute the instrumental aberration functions from the experimental powder X-ray data measured with a high-resolution synchrotron powder diffractometer has been developed. The effects of the diffractometer aberration and asymmetry caused by the beamline optics have been eliminated from the entire observed diffraction pattern of LaB6 powder.
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Crystal structure determination of (H2pc)<sub>3</sub> PF<sub>6-x</sub>Cl<sub>x</sub> by synchrotron powder diffractometry（共著）
T. Ida, F. Sato, H. Okuno, H. Yamakado, H. Toraya
Photon Factory Activity Report 2001 - Part B - 19 ( 2 ) 157 - 157 2002年09月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（その他学術会議資料等）
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粉末Ｘ線回折パターンからのKα2線と装置収差の影響の除去（共著）
井田隆,虎谷秀穂
名古屋工業大学セラミックス基盤工学研究センター年報 1 23 - 29 2002年03月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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Deconvolution of the instrumental functions in powder X-ray diffractometry（共著） 査読あり
T. Ida, H. Toraya
J. Appl. Cryst. 35 ( 1 ) 58 - 68 2002年02月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
A novel method to deconvolute the instrumental aberration functions from the experimental powder X-ray data has been developed. The method is based on the combination of scale transformation, interpolation of data and fast Fourier transformation. The effects of axial divergence, flat specimen, sample transparency and spectroscopic profile of the source X-ray are eliminated from the entire observed diffraction pattern in three-step operations. The errors in the deconvoluted data propagated from the statistical uncertainty in the source data are approximated by the reciprocal of the square root of the correlation between the reciprocal of the variance in the source data and the squared instrumental function. The deconvolution of the instrumental aberration functions enables automatic correction of peak shift and line broadening, and supplies narrow and symmetric peak profiles for a well crystallized sample, which can be fitted by a simple model function. It will be useful in preparatory data processing for precise line profile analysis, accurate determination of lattice parameters and whole pattern fitting for crystal structure analysis.
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Standardless Estimation of Lattice Constants Based on Fundamental-Parameters Method（共著） 査読あり
Takashi Ida, Hideo Toraya
Materials Science Forum 378-381 86 - 91 2001年10月
記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
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Hisayoshi Nakamura, Satoru Yamazaki, Tomohiko Ohnishi, Takashi Ida, Hideo Toraya
Powder Diffraction 16 ( 2 ) 65 - 70 2001年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
The Monte Carlo method is applied to finding missing atoms in solving inorganic crystal structures without applying a rigid-body approximation. Whole powder patterns of alpha-SiO2 and Mg2SiO4 were used for testing a procedure. Four atoms among the six in the asymmetric unit of Mg2SiO4 could be found in the present analysis. The use of well-refined profile parameters enhanced the frequency of correct structure configurations in the Monte Carlo search. Utilizing structural information available for constructing a trial configuration is also considered to be important for efficiently searching the structure solution. A procedure for assignment of equivalent positions to respective atoms is presented. The method can be used as a powerful tool for finding missing atoms in a partially solved structure. A histogram of weighted reliability index in Monte Carlo calculations is very informative for evaluating the performance of the method.
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粉末Ｘ線回折プロファイル関数の開発 招待あり 査読あり
井田隆
日本結晶学会誌 43 ( 3 ) 269 - 274 2001年06月
担当区分：筆頭著者 記述言語：日本語 掲載種別：研究論文（学術雑誌）
A model peak profile function synthesized by multiple convolutions of the intrinsic peak profile with the instrumental functions of a conventional powder X-ray diffractometer has been developed. The general recipe for deriving accurate instrumental functions as well as an efficient numerical method for evaluating the convolutions are presented. The validity of the model function has been examined by comparing the experimental peak profiles measured in different conditions. The use of the convoluted model profile function provides a convenient and reliable way to estimate the integrated intensities, intrinsic peak positions and broadenings.
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装置関数との畳み込みによる粉末回折ピークのモデルプロファイル関数
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理学電機ジャーナル 32 ( 1 ) 24 - 33 2001年04月
掲載種別：研究論文（その他学術会議資料等）
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Model peak profile functions for powder diffractometry as convolutions with instrumental functions
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Rigaku J. 18 ( 2 ) 47 - 56 2001年04月
掲載種別：研究論文（学術雑誌）
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Peak profile function for synchrotron X-ray diffractometry（共著） 査読あり
T. Ida, H. Hibino, H. Toraya
Journal of Applied Crystallography 34 ( 2 ) 144 - 151 2001年04月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
A formula of the instrumental function for a high-resolution synchrotron X-ray diffractometer, equipped with a flat crystal analyser and a set of Soller slits for limiting the axial divergence of the diffracted beam, has been derived. The formula incorporates the effects of (i) the axial divergence of the diffracted beam limited by the Soller slits, (ii) the Bragg angle of the flat crystal analyser, and (iii) the tilt angle defined as the deviation of the normal direction of the analyser face from the goniometer plane. The model profile function given by the convolution of a Lorentzian function with the instrumental function has been applied to fit the experimental diffraction peak profiles of standard Si powder (NIST SRM640b) measured with a high-resolution synchrotron X-ray diffractometer, MDS, on beamline BL4B2 at the Photon Factory in Tsukuba. The convolution has been calculated by applying an efficient algorithm for numerical integration. The profile function reproduces not only the experimental profiles measured with a well aligned crystal analyser, but also significantly distorted profiles arising from misalignment of the analyser, with Rp values within 1.4%, by varying only the instrumental parameter for the tilt angle. It is suggested that further convolution with a Gaussian distribution is practically not necessary for the model instrumental function to fit the data collected with MDS. More rapid computation can be achieved by applying an analytical formula of the profile function, when the tilt angle of the crystal analyser is within about 0.2°.
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Ab initio structure determination of monoclinic 2,2-dihydroxymethylbutanoic acid from synchrotron radiation powder diffraction data: combined use of direct methods and the Monte Carlo method（共著） 査読あり
Y. Tanahashi, H. Nakamura, S. Yamazaki, Y. Kojima, H. Saito, T. Ida, H. Toraya
Acta Crystallographica Section B 57 ( 2 ) 184 - 189 2001年04月
記述言語：英語 掲載種別：研究論文（学術雑誌）
The crystal structure of 2,2-dihydroxymethylbutanoic acid (C6H12O4) in monoclinic form has been determined ab initio from synchrotron radiation powder diffraction data. Two O and five C atoms were first derived by direct methods. Two missing O atoms and one C atom were found by the Monte Carlo method without applying constraint to their relative positions. Positional and isotropic displacement parameters of these non-H atoms were refined by the Rietveld method. Molecules are linked by hydrogen bonds and they make sheet-like networks running parallel to the (010) plane. The Monte Carlo method is demonstrated to be a powerful tool for finding missing atoms in partially solved structure.
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Extended pseudo-Voigt function for approximating the Voigt profile（共著） 査読あり
T. Ida, M. Ando, H. Toraya
Journal of Applied Crystallography 33 ( 6 ) 1311 - 1316 2000年12月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The formula of the pseudo-Voigt function is extended in order to improve the accuracy when approximating the Voigt profile. When the extended formula is applied for curve fitting to a Voigt profile, the accuracy of the estimated profile parameters can be improved considerably.
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基礎パラメータ法による粉末回折ピークのプロファイルフィッティング
井田隆
名古屋工業大学セラミックス研究施設年報 9 ( 2 ) 1 - 7 2000年04月
記述言語：日本語 掲載種別：研究論文（大学，研究機関等紀要）
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Effect of Sample Transparency in Powder Diffractometry with Bragg-Brentano Geometry as a Convolution 査読あり
T. Ida, K. Kimura
Journal of Applied Crystallography 32 ( 5 ) 982 - 991 1999年10月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
Mathematical formulae for the effect of sample transparency in powder diffractometry with Bragg-Brentano geometry are examined. The overall profile function given by triple convolution of the pseudo-Voigt function with the horizontal divergence, sample transparency and vertical divergence aberration functions reproduces the experimental peak profiles well.
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Flat-Specimen Effect as a Convolution in Powder Diffractometrywith Bragg-Brentano Geometry（共著） 査読あり
T. Ida, K. Kimura
Journal of Applied Crystallography 32 ( 4 ) 634 - 640 1999年08月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The flat-specimen effect on the peak profile in powder diffractometry with Bragg-Brentano geometry can quantitatively be treated as a convolution with an asymmetric window function. The formula of the window function and a practical method for numerical calculation of the convolution are proposed. By applying the model function given by the convolution of the pseudo-Voigt function with asymmetric window functions based on vertical (axial) divergence and the flat-specimen effect, experimental profiles measured with a conventional diffractometer are fairly well reproduced with only a few parameters. When this function is applied to the analysis of experimental diffraction profiles of a lanthanum hexaboride (LaB6) standard sample measured with a conventional powder X-ray diffractometer, the lattice constant is estimated as a = 4.15685 (2)-4.15693 (2) Å at 299 (1) K, without the use of any other standard material or preceding correction of systematic instrumental errors, while the specified value is a = 4.15695 (6) Å.
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An efficient method for calculating asymmetric diffraction peak profiles 査読あり
Takashi Ida
Review of Scientific Instruments 69 ( 11 ) 3837 - 3839 1998年11月
記述言語：英語 掲載種別：研究論文（学術雑誌）
DOI： 10.1063/1.1149220
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Thiol-derivatized AgI Nanoparticles: Synthesis,Characterization and Optical Properties（共著） 査読あり
Sihai Chen, Takashi Ida, Keisaku Kimura
J. Phys. Chem. B 102 ( 32 ) 6169 - 6176 1998年08月
記述言語：英語 掲載種別：研究論文（学術雑誌）
DOI： 10.1021/jp9809991
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Formula for the asymmetric diffraction peak profiles based on double Soller slit geometry 査読あり
Takashi Ida
Review of Scientific Instruments 69 ( 6 ) 2268 - 2272 1998年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
DOI： 10.1063/1.1148930
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Ionic conductivity of small-grain polycrystals of silver iodide（共著） 査読あり
T. Ida, K. Kimura
Solid State Ionics 107 ( 3-4 ) 313 - 318 1998年04月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
Small particles of AgI with various average size (140–680 nm) have been prepared by a gas-evaporation method. The powder X-ray diffraction patterns show that they are mixture of γ- and β-phases, and the mass fraction of the latter is roughly estimated at 20–25%. The room temperature conductivity of a polycrystalline pellet of small AgI particles shows enhancement by decreasing particle size, and the conductivity of 1.4×10−4 Ω−1 cm−1 has been observed in 140 nm-grain AgI polycrystal. The overall activation energy for conduction varies from 0.38 to 0.28 eV, depending on the average size of the particles.
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A novel method for large-scale synthesis of AgI nanoparticle（共著） 査読あり
Sihai Chen, Takashi Ida, Keisaku Kimura
Chemical Communications 1997 ( 23 ) 2301 - 2302 1997年12月
記述言語：英語 掲載種別：研究論文（学術雑誌）
Thiol-derivatised I–VII nanoparticles of AgI (7–16 nm) are prepared in large quantities by the reaction of silver nitrate with potassium iodide containing 1-thioglycerol in aqueous solution.
DOI： 10.1039/a705420c
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Colloidal stability of gold nanoparticles in 2-propanol under laser irradiation（共著） 査読あり
Y. Takeuchi, T. Ida, K. Kimura
The Journal of Physical Chemistry 101 ( 8 ) 1322 - 1327 1997年02月
記述言語：英語 掲載種別：研究論文（学術雑誌）
The influence of laser light irradiation at the surface plasmon frequency of the gold nanoparticles suspended in 2-propanol is examined by the UV−vis absorption spectral measurement and also by a transmission electron microscope. It has been found that the laser light irradiation on the colloidal suspension causes coagulation or dispersion of the particles depending on the particle concentration of the suspension. To investigate the cause of this finding, we have measured the ζ-potential of the particles by an electrophoretic light scattering method. This measurement suggests that the dispersion phenomenon of flocculates is due to the increment in the ζ-potential of the particles which prevents mutual access of negatively charged particles. The photochemical reaction, in which the gold particles obtain electrons from a solvent molecule, is suggested to be responsible for this process.
DOI： 10.1021/jp963107a
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Blue-green photoluminescence from ultrafine colloidal Si particles in 2-propanol（共著） 査読あり
Shingo Iwasaki, Takashi Ida, Keisaku Kimura
Japanese Journal of Applied Physics 35 L551 - L554 1996年05月
記述言語：英語 掲載種別：研究論文（学術雑誌）
We have prepared Si nanocolloids by trapping Si ultrafine particles (UFPs) prepared by gas evaporation into an organic solvent. The average diameter of the Si UFPs is 4.8 nm. Strong blue-green photoluminescence (PL) from the Si UFPs has been observed at room temperature. The peak energy of the broad PL band is about 2.5 eV. We have investigated the dependence of the PL intensity on the aging of the sample and the average diameter of the Si particles.
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Electrocrystallization, crystal structure, and solid state properties of halogen-bridged one-dimensional compound, {[Ni(en)<sub>2</sub>Br](ClO<sub>4</sub>)<sub>2</sub>}<sub>∞</sub>, having an elongated Ni...Ni distance（共著） 査読あり
Yoshiki Ozawa, Takayuki Ikuno, Shin-Ichi Amano, Takashi Ida, Akito Ibaraki, Keisaku Kimura, Koshiro Toriumi
Molecular Crystals and Liquid Crystals 278 189 - 197 1996年03月
記述言語：英語 掲載種別：研究論文（学術雑誌）
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Temperature effect on gold nanodispersion in organic liquids（共著） 査読あり
Y. TAKEUCHI, T. IDA, K. KIMURA
Surface Review and Letters 3 ( 1 ) 1205 - 1208 1996年02月
記述言語：英語 掲載種別：研究論文（学術雑誌）
The temperature effect on gold nanodispersion in organic liquids was examined by optical absorption spectroscopy and transmission electron microscopy. It was found that the color of the dispersion changed from purple just after preparation under a low-temperature condition to reddish purple or pink with the elevation of temperature up to room temperature. The optical properties of this system strongly coupled with the state of dispersions such as isolation, coagulation, and coalescence to sediment. Heating the dispersion above room temperature induced the instability of the colloidal system which also resulted in the color change of the dispersion.
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The preparation and properties of polycrystals of solid electrolyte ultrafine particles（共著） 査読あり
T. IDA, H. SAEKI, H. HAMADA, K. KIMURA
Surface Review and Letters 3 ( 1 ) 41 - 44 1996年02月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
We have investigated the transport properties of polycrystals of solid electrolytes, CuBr(I), CuCl(I), and AgI, by compressing submicron particles prepared by the evaporation method. The pellets of asgrown CuBr and CuCl particles tend to be contaminated by Cu(II), which may cause charge transport by hole conduction. After the CuCl particles are treated with acetone, the pellet shows significant ionic conduction. The pellet of purified particles 0.4-μm CuCl has a conductivity of 5×10−7Ω−1cm−1 at 25°C, and activation energy for conduction of 0.44 eV. The 0.7-μm AgI pellet also shows an enhanced conductivity of 5×10−5Ω−1cm−1 at 25°C, and activation energies of 0.04 eV between 60 and 5°C, and 0.23 eV below −25°C.
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Plasmon absorption of gold nanoparticles and their morphologies observed by AFM（共著） 査読あり
H. ISHIKAWA, T. IDA, K. KIMURA
Surface Review and Letters 3 ( 1 ) 1153 - 1156 1996年02月
記述言語：英語 掲載種別：研究論文（学術雑誌）
We have studied the effect of heat treatment on Au-island film prepared by a sputtering method, atomic force microscopy (AFM), and UV-VIS spectrophotometry. The structure and absorption spectrum of Au-island film are significantly changed by heat treatment, which corresponds to the visible color change from blue to red. In order to elucidate the relation between the structural and optical changes, we have simulated the change of spectrum using the Maxwell-Garnett theory. The calculated spectra are qualitatively in agreement with the experimental spectra.
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Structure and solid-state properties of the stable ring-oxidized conductor CoPc(AsF<sub>6</sub>)<sub>0.5</sub>: interaction between ring pi-electrons and cobalt d-electrons（共著） 査読あり
H. Yamakado, T. Ida, A. Ugawa, K. Yakushi, K. Awaga, Y. Maruyama, K. Imaeda, H. Inokuchi
Synthetic Metals 62 ( 2 ) 169 - 178 1994年01月
記述言語：英語 掲載種別：研究論文（学術雑誌）
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Structure and solid state properties of the conductive salt of (phthalocyaninato) cobalt, CoPc(AsF<sub>6</sub>)<sub>0.5</sub>（共著） 査読あり
K. Yakushi, H. Yamakado, T. Ida, A. Ugawa, K. Awaga, Y. Maruyama, K. Imaeda, H. Inokuchi
Synthetic Metals 56 ( 1 ) 1699 - 1704 1993年03月
記述言語：英語 掲載種別：研究論文（学術雑誌）
A conducting crystal of (phthalocyaninato)cobalt hexafluoroarsenate CoPc(AsF6)0.5 is prepared by an electrochemical method. Temperature-dependent electrical conductivity of dc and 9.4 GHz shows that CoPc(AsF6)0.5 is a narrow-gap semiconductor with activation energies of 327 K for dc and 138 K for 9.4 GHz. Thermoelectric power is +40 μV/K - +50μV/K in the range 100–300 K. The sign of the thermoelectric power is consistent with our earlier spectroscopic result that Pc ring is mainly oxidized contrary to the analogous material CoPcI. Optical spectrum along the c axis exhibits strong and weak peaks at 0.29 eV and 1.2 eV. Magnetic susceptibility is composed of a Curie-Weiss part with C = 0.056 emu mol−1 and a nearly temperature-independent part with the magnitude of 5 × D−4 emu/mol/ All these data indicates the localizaion of holes (U>4t) like in (TMTTF)2X and Ag(DMe-DCNQI)2. This localization seems to be related to the exchange interaction between the unpaired d-electron on Co and the π-electron on macrocyclic ligand.
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Measurement of magnetic susceptibility of magnesium ultrafine particles（共著） 査読あり
T. Ida, K. Kimura
Zeitschrift fur Physik D 26 ( Supplement 1 ) S140 - S142 1993年03月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The static magnetic susceptibilities of Mg fine particles have been measured by Faraday method, varying the temperature from 2 to 300 K and the magnetic field up to 5 T. The experimental results show diamagnetic deviation of fine particles from bulk magnetizatiion in the higher field region than ~1 T. It suggests size dependent saturation of paramagnetism or enhancement of diamagnetism in a high magnetic field.
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Structure of the charge-transfer complex of (DBTTF)(BTDA-TCNQ) （共著） 査読あり
K. Iwasaki, T. Ida, A. Kawamoto, A. Ugawa, Y. Yamashita, K. Yakushi, T. Suzuki
Acta Crystallographica C 48 ( 11 ) 1982 - 1984 1992年11月
記述言語：英語 掲載種別：研究論文（学術雑誌）
2-(1,3-Benzodithiol-2-ylidene)-1,3-benzodithiolo-2,2'-(4,6,10,12-tetraaza-5,11-dithiatricyclo-[7.3.0.0]dodeca-3,6,9,12-tetraene-2,8-diylidene)bis-propanedinitrile, (DBTTF)(BTDA-TCNQ), C14H8S4-C12N8S2, M=624.8, orthorhombic, Pnmn, a = 12.940(3), b=13.551(3), c=7.440(2)Å, V=1304.6(5)Å<sup>3</sup>, Z=2, Dm=1.60, Dx=1.59 g cm<sup>-3</sup>, λ(Mo Kα)=0.71073Å, μ=4.96 cm<sup>-1</sup>, F(000)=632, T=293K, R=0.067 (wR=0.062) for 1028 reflections. The components of the complex, DBTTF (donor) and BTDA-TCNQ (acceptor), form a mixed-stack column along the c axis. There are no intermolecular contacts shorter than the sum of the van der Waals radii within the molecular stack and between the stacks.
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Polarized reflectance spectra of single crystals of the phthalocyanine radicals NiPc(AsF<SUB>6</SUB>)<SUB>0.5</SUB>, H<SUB>2</SUB>Pc(AsF</SUB>6</SUB>)<SUB>0.67</SUB>, and LiPc（共著） 査読あり
K. Yakushi, T. Ida, A. Ugawa, H. Yamakado, H. Ishii, H. Kuroda
The Journal of Physical Chemistry 95 ( 20 ) 7636 - 7641 1991年10月
記述言語：英語 掲載種別：研究論文（学術雑誌）
DOI： 10.1021/j100173a016
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Pressure dependence of the polarized reflectance spectrum of a solid charge-transfer complex, perylene-hexacyanobutadiene (HCBD)（共著） 査読あり
T. Ida, K. Yakushi, H. Kuroda, H. Yamochi, G. Saito
Chemical Physics 156 ( 1 ) 113 - 122 1991年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The polarized reflectance spectrum of the perylene-HCBD complex has been measured at high pressures up to 26 kbar. Extraordinary intensity of the charge-transfer band is observed at high pressures, which cannot be reproduced by a conventional analytical model such as a dimer or trimer model. It is shown that this intensity can be naturally explained by applying the results of diagrammatic valence-bond calculations for an infinite-chain model, which has been reported by Painelli et al. [J. Chem. Phys. 87 (1987) 1705]. The degree of charge transfer varrho, the transfer integral t, and the site-energy difference from the donor to acceptor Δ at each pressure are estimated, and the pressure dependence of t and Δ is found to be ∂ ln t/∂P = +2.9% kbar−1 and ∂Δ/∂P = −9.6 meV kbar−1, respectively.
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d-pi Interaction in conducting phthalocyaninatocobalthexafluoroarsenate, CoPc(AsF<SUB>6</SUB>)<SUB>0.5</SUB>（共著） 査読あり
Kyuya Yakushi, Hideo Yamakado, Takashi Ida, Akito Ugawa
Solid State Communications 78 ( 10 ) 919 - 923 1991年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
The spectroscopic study of semiconductive CoPc(AsF6)0.5 evidences the ligand-centered oxidation. The possible origin of the semiconductive band gap is related to the magnetic interaction between the itinerant π-electrons on the ligand channel and the unpaired d-electrons interacting antiferromagnetically within the Co2+ channel.
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Polarized reflectance spectra of DCNQI salts（共著） 査読あり
Kyuya Yakushi, Akito Ugawa, Gen Ojima, Takashi Ida, Hiroyuki Tajima, Akiko Koayashi, Reizo Kato, Hayao Kobayashi
Molecular Crystals and Liquid Crystals 181 217 - 231 1990年04月
記述言語：英語 掲載種別：研究論文（学術雑誌）
Temperature dependence of the polarized reflectance spectra have been measured on the single crystals of (DMe-DCNQI)2Ag, (DMe-DCNQI)2Na, (MeBr-DCNQI)2Cu, and (DMe-DCNQI)2-Cu (DCNQI stands for dicyanoquinonediimine). The optical spectra evidence one-dimensional band structures of Ag- and Na-salts and anisotropic three-dimensional ones of Cu-salts. The dimensionality crossover is found in (MeBr-DCNQI)2Cu around the metal-insulator phase transition.
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High-pressure optical study of partially oxidized metallophthalocyanines and metallotetrabenzoporphyrins（共著） 査読あり
Takashi Ida, Hideo Yamakado, Hideki Masuda, Kyuuya Yakushi, Daisuke Kanazawa, Hiroyuki Tajima, Haruo Kuroda
Molecular Crystals and Liquid Crystals 181 243 - 252 1990年04月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The reflectance spectra of (phthalocyaninato)-nickel(II) hexafluoroarsenate ([Ni(pc)]2AsF6) and (tetrabenzoporphyrinato)nickel(II) hexafluoroarsenate ([Ni(tbp)]3(AsF6)(C10H7Cl)) were measured at high pressures. The pressure dependence of the reflectance spectrum of [Ni(pc)]2AsF6 suggests that the charge-carrying hole moves from the organic ligand to the central metal ion under high pressure.
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Reflectance spectra of DCNQI salts（共著）
H. Tajima, G. Ojima, T. Ida, H. Kuroda, A. Kobayashi, R. Kato, H. Kobayashi, A. Ugawa, K. Yakushi
The Physics and Chemistry of Organic Superconductors 51 ( 1 ) 49 - 53 1990年04月
記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
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Optical spectra of highly conducting phthalocyanine salts（共著）
K. Yakushi, H. Yamakado, T. Ida, A. Ugawa, H. Masuda, H. Kuroda
The Physics and Chemistry of Organic Superconductors 51 ( 1 ) 54 - 57 1990年04月
記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
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Microwave conductivity of the phthalocyanine anddicyanoquinonediimine salts（共著）
H. Yamakado, A. Ugawa, T. Ida, K. Yakushi
The Physics and Chemistry of Organic Superconductors 51 ( 1 ) 311 - 314 1990年04月
記述言語：英語 掲載種別：研究論文（国際会議プロシーディングス）
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Takashi Ida, Kyuya Yakushi, Haruo Kuroda
The Journal of Chemical Physics 91 ( 6 ) 3450 - 3455 1989年09月
担当区分：筆頭著者 記述言語：英語 掲載種別：研究論文（学術雑誌）
The polarized reflectance spectrum of the perylene–TCNQ complex has been measured at high pressure up to 27 kbar using a diamond anvil cell incorporated into a microspectrophotometer. The degree of charge transfer (ρ), the transfer integral (t), and the site‐energy difference (Δ) are estimated at each pressure from analysis of the charge‐transfer band. The pressure dependences of t and Δ are found to be ∂ ln t/∂P=+2.3% kbar−1 and ∂Δ/∂P=−6.4 MeV kbar−1, respectively. It is shown that the observed pressure dependence of the stabilization energy of the charge‐transfer excited state is mainly attributable to the change in the electrostatic energy accompanying the lattice contraction.
DOI： 10.1063/1.456873
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Optical study of bis(propylenedithio)tetrathiafulvalenium(BPDT-TTF) salts（共著） 査読あり
K. Yakushi, H. Tajima, T. Ida, M. Tamura, H. Hayashi, H. Kuroda, A. Kobayashi, R. Kato
Synthetic Metals 24 ( 4 ) 301 - 309 1988年06月
記述言語：英語 掲載種別：研究論文（学術雑誌）
Polarized reflectance spectra of (BPDT-TTF)3(PF6)2 and (BPDT-TTF)2I3 were measured at room temperature over the spectral region from 720 cm−1 to 25 000 cm−1. Both of these salts exhibited one-dimensional behaviour in contrast to the BEDT-TTF (bis-(ethylenedithio)tetrathiafulvalenium) salts. The transfer integrals and the on-site Coulomb energy of these materials were estimated by analysing the optical spectra, and the on-site Coulomb energy of (BPDT-TTF)3(PF6)2 was found to be significantly larger than that of TCNQ salts.
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