検索結果 13 件

B. Ravel, M. Newville, J. J. Kas, J. J. Rehr Journal of Synchrotron Radiation 24 (6), 1173-1179, 2017-10-05

...<jats:p>A theory program intended for use with extended X-ray-absorption fine structure (EXAFS) spectroscopy and based on the popular<jats:italic>FEFF8</jats:italic>is presented....

DOI PDF 被引用文献1件

Hisashi Hayashi, Hitoshi Abe Bulletin of the Chemical Society of Japan 89 (12), 1510-1517, 2016-12

...The real-space multiple scattering calculations using FEFF 8.02 code suggested that Co–Fe-based Prussian blue analogs, of which the most likely local structure is Co(OC)4(NCFe)2, co-existed with [Co(H2O...

DOI PDF Web Site 被引用文献4件 参考文献26件

M Katsikini, F Pinakidou, E C Paloura, J Arvanitidis, S Ves, U Reinholz, E Papadomanolaki, E Iliopoulos Journal of Physics: Conference Series 712 012126-, 2016-05

DOI Web Site Web Site 被引用文献1件

依田 智子, 原田 正英, 西川 徹, 小林 竜也, 荘司 郁夫 Journal of Smart Processing 3 (4), 232-239, 2014-07-20

...Furthermore, M<SUB>5</SUB> edge EELS spectrum of the Sn-W reaction layer were measured with TEM samples, and the Sn-W bonding was analyzed by electron multiple scattering theory of FEFF8.2 calculation...

DOI Web Site Web Site 参考文献10件

Ana Mijovilovich, Hisashi Hayashi, Naomi Kawamura, Hitoshi Osawa, Pieter C. A. Bruijnincx, Robertus J. M. Klein Gebbink, Frank M. F. de Groot, Bert M. Weckhuysen European Journal of Inorganic Chemistry 2012 (10), 1589-1597, 2012-01-30

...We show that by combining modelling and XANES simulations with FEFF8, detailed structural and chemical information can be obtained....

DOI Web Site Web Site ほか1件 被引用文献1件

篠塚 寛志 表面科学学術講演会要旨集 31 (0), 116-116, 2011

...そこで第一原理計算（FEFF8.2およびWIEN2k）により35種の半導体について0.1 eVから30 keVにおける誘電関数を計算した。f-sum ruleおよびps-sum ruleによるチェックを行い、それぞれ6 %以下、0.1 %以下の誤差に収まることを確認した。...

DOI

Gordon A. Simms, J. Daniel Padmos, Peng Zhang The Journal of Chemical Physics 131 (21), 214703-, 2009-12-03

...A self-consistent real space Green’s function approach implemented in ab initio FEFF8 program was used to calculate the l-DOS of Au25(SR)18 and other model clusters from a site-specific perspective....

DOI PDF 被引用文献2件

Takashi Ohkura, Yasushi Fujimoto, Masahiro Nakatsuka, Seo Young‐Seok Journal of the American Ceramic Society 90 (11), 3596-3600, 2007-09-06

...According to curve‐fitting results using FEFF 8.2, the Bi–O distances of the first and second neighboring coordination spheres are estimated to be 2.1 and 2.3 Å, respectively....

DOI Web Site Web Site 被引用文献2件

T. E. M. Staab, M. Haaks, C. Zamponi, H. Modrow, K. Maier physica status solidi (RRL) – Rapid Research Letters 1 (5), 172-174, 2007-07-11

...We compare the measured XANES spectra with those calculated by the FEFF‐8 code....

DOI Web Site Web Site 被引用文献2件

M.S. Moreno, K. Jorissen, J.J. Rehr Micron 38 (1), 1-11, 2007-01

DOI Web Site Web Site 被引用文献4件

Lara J. Gamble, Bruce Ravel, Daniel A. Fischer, David G. Castner Langmuir 18 (6), 2183-2189, 2002-02-08

DOI Web Site 被引用文献3件

A L. Ankudinov, J. J. Rehr, J. J. Low, S. R. Bare Journal of Synchrotron Radiation 8 (2), 578-580, 2001-03-01

...Calculations based on FEFF8 are found to be in good agreement with experiment. For pure Pt clusters the XANES can distinguish between 2- and 3-dimensional clusters....

DOI PDF 被引用文献2件

A. A. Lavrentyev, I. Ya. Nikiforov, V. A. Dubeiko, B. V. Gabrelian, J. J. Rehr Journal of Synchrotron Radiation 8 (2), 288-290, 2001-03-01

...<jats:p>The FEFF8 was used to calculate x-ray absorption spectra (XANES) and the local partial electron density of states (LDOS) for several sulfides: InPS<jats:sub>4</jats:sub> (twice defective chalcopyrite...

DOI PDF 被引用文献2件