First-principles calculation for multiplet structure of emerald

被引:0
|
作者
Ishii, T [1 ]
Ogasawara, K
Ito, Y
Tanaka, I
Adachi, H
机构
[1] Kyoto Univ, Dept Mat Sci & Engn, Sakyo Ku, Kyoto 6068501, Japan
[2] Kyoto Univ, Dept Energy Sci & Technol, Sakyo Ku, Kyoto 6068501, Japan
关键词
first-principles calculation; multiplet structure;
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:85 / 96
页数:12
相关论文
共 50 条
  • [21] The first-principles calculation of molecular conduction
    Chen, Hao
    FRONTIERS OF PHYSICS IN CHINA, 2009, 4 (03): : 327 - 336
  • [22] First-principles calculation of multiplet effects in transition-metal L2,3-edge ELNES
    Ogasawara, K
    Iwata, T
    Ishii, T
    Tanaka, I
    Adachi, H
    PRICM 4: FORTH PACIFIC RIM INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS AND PROCESSING, VOLS I AND II, 2001, : 549 - 550
  • [23] First-principles calculation of CdS electronic structure doped with Mg and Cu
    Dang Sui-Hu
    Li Chun-Xia
    Han Pei-De
    ACTA PHYSICA SINICA, 2009, 58 (06) : 4137 - 4143
  • [24] First-principles calculation of AlN electronic structure by doping with Mg and Zn
    Mang Li-Min
    Fan Guang-Han
    Ding Shao-Feng
    ACTA PHYSICO-CHIMICA SINICA, 2007, 23 (10) : 1498 - 1502
  • [25] Effect of tensile strain on the electronic structure of Ge: A first-principles calculation
    Liu, Li
    Zhang, Miao
    Hu, Lijuan
    Di, Zengfeng
    Zhao, Shi-Jin
    JOURNAL OF APPLIED PHYSICS, 2014, 116 (11)
  • [26] Electronic and phonon structure of nickel hydroxide: first-principles calculation study
    Haoran Wang
    Changjiang Song
    The European Physical Journal B, 2019, 92
  • [27] First-principles band calculation of TiO2 with Brookite structure
    Matsushima, S
    Obata, K
    Yamane, H
    Yamada, K
    Nakamura, H
    Arai, M
    Kobayashi, K
    ELECTROCHEMISTRY, 2004, 72 (10) : 694 - 696
  • [28] First-principles calculation of structure and dynamical properties of orientational defects in ice
    Tsogbadrakh, N.
    Morrison, I.
    PHYSICS AND CHEMISTRY OF ICE, 2007, : 601 - 608
  • [29] Structure of the Pt(111)/liquid interface: a first-principles/RHNC calculation
    Yamamoto, M
    Kinoshita, M
    Kakiuchi, T
    ELECTROCHIMICA ACTA, 2000, 46 (2-3) : 165 - 174
  • [30] Application of first-principles methods for the calculation of the crystal and electronic structure of oxynitrides
    Fang, CM
    Metselaar, R
    Hintzen, HT
    de With, G
    EURO CERAMICS VII, PT 1-3, 2002, 206-2 : 1149 - 1152