Several factors influencing energy-loss near-edge structure calculations using Wien2k.

Ding, Yifan; Yang, Junkai; Ji, Yu; Guo, Qinwen; Li, Xiangfei; Wang, Luyao; Meng, Ying; Shen, Xi; Yao, Yuan; Yu, Richeng

Ding, Yifan; Yang, Junkai; Ji, Yu; Guo, Qinwen; Li, Xiangfei; Wang, Luyao; Meng, Ying; Shen, Xi; Yao, Yuan; Yu, Richeng.

Afiliação

Ding Y; Beijing National Laboratory of Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, P. R. China.
Yang J; School of Physics Sciences, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
Ji Y; Beijing National Laboratory of Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, P. R. China.
Guo Q; School of Physics Sciences, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
Li X; Beijing National Laboratory of Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, P. R. China.
Wang L; School of Physics Sciences, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
Meng Y; Beijing National Laboratory of Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, P. R. China.
Shen X; School of Physics Sciences, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
Yao Y; Beijing National Laboratory of Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, P. R. China.
Yu R; School of Physics Sciences, University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.

J Microsc ; 287(2): 61-68, 2022 Aug.

Article em En | MEDLINE | ID: mdl-35570411

Palavras-chave

Wien2k; density functional theory; electron energy-loss spectroscopy; on-site Coulomb energy; pressure; spin order

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Microsc Ano de publicação: 2022 Tipo de documento: Article País de publicação: Reino Unido

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