Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3
ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun
Department of Physics, Xiarnen University, Xiarnen 361005
Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3
ZHANG Zhipeng;SHEN Yaowen;HUANG Meichun
Department of Physics, Xiarnen University, Xiarnen 361005
关键词 :
71.20.-b
Abstract : The band-structure of BaBiO3 has been calculated by using LMTO-ASA method to a supercell, in which the breathing-mode displacements of oxygen atoms and two oxidation states of Bi were considered. The results indicate that BaBiO3 is a semiconductor with a gap of 1.5eV, which, unlike previous calculations, is essentially consistent with experiments.
Key words :
71.20.-b
出版日期: 1993-06-01
:
71.20.-b
(Electron density of states and band structure of crystalline solids)
引用本文:
ZHANG Zhipeng;SHEN Yaowen;HUANG Meichun. Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3 [J]. 中国物理快报, 1993, 10(6): 371-373.
ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun. Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3 . Chin. Phys. Lett., 1993, 10(6): 371-373.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y1993/V10/I6/371
[1]
WU Qing-Hua;HU Qian-Ku;LUO Xiao-Guang;YU Dong-Li;LI Dong-Chun;HE Ju-Long. First-Principles Study of Structural and Electronic Properties of Layered B2 CN Crystals [J]. 中国物理快报, 2007, 24(1): 180-183.
[2]
XU Ying; ZENG Zhi. Ground State Property of LiV2 O4 [J]. 中国物理快报, 2007, 24(1): 184-186.
[3]
LUO Xiao-Guang;LIU Zhong-Yuan;GUO Xiao-Ju;HE Ju-Long;YU Dong-Li;TIAN Yong-Jun;SUN Jian;WANG Hui-Tian. Ab Initio Study of Structural and Electronic Properties of Hexagonal BC2 N [J]. 中国物理快报, 2006, 23(8): 2175-2178.
[4]
ZHANG Dong-Wen;JIN Feng-Tao;YUAN Jian-Min. First-Principles Calculation of Static Equation of State and Elastic Constants for GaSe [J]. 中国物理快报, 2006, 23(7): 1876-1879.
[5]
OUYANG Chu-Ying;WANG De-Yu;SHI Si-Qi;WANG Zhao-Xiang;LI Hong;HUANG Xue-Jie;CHEN Li-Quan. First Principles Study on Nax Li1-x FePO4 As Cathode Material for Rechargeable Lithium Batteries [J]. 中国物理快报, 2006, 23(1): 61-64.
[6]
MA Chun-Lan;PAN Tao. Electronic Structures of the Filled Tetrahedral Semiconductor Li3 AlN2 [J]. 中国物理快报, 2006, 23(1): 186-188.
[7]
MENG Xu-Jun;ZHU Xi-Rui;TIAN Ming-Feng;JIANG Min-Hao;WANG Zhi-Gang. Free or Quasi-Free Electronic Density of States in a Confined Atom [J]. 中国物理快报, 2005, 22(2): 310-313.
[8]
YI Lin;DUAN Yi-Feng. New Infrared Properties of the Tetragonal CaTiO3 [J]. 中国物理快报, 2005, 22(2): 435-438.
[9]
DUAN Yi-Feng;YI Lin. Orbital Hybridization of the Ferroelectric Rb2 Cd2 (SO4 )3 : Origin of Domain Walls [J]. 中国物理快报, 2005, 22(2): 439-441.
[10]
TAO Kun;ZHANG Qi-Ren;LIU Ting-Yu;ZHANG Fei-Wu. Origin of the 420nm Absorption Band and Effect of Doping Fluorine in PbWO4 Crystals [J]. 中国物理快报, 2005, 22(1): 215-218.
[11]
SONG Bin;CAO Pei-Lin. Theoretical Analysis of Structures of Ga4 N4 Clusters
[J]. 中国物理快报, 2003, 20(9): 1488-1491.
[12]
LIU Zhi-Yi;LI Cheng-Bo;WANG Si-Guang;ZHOU Jing;MENG Qiu-Ying;LU Shao-Jun;ZHOU Shu-Hua. Measurement of Change of 7 Be Decay Rate in Be and Au [J]. 中国物理快报, 2003, 20(6): 829-831.
[13]
YAO Kai-Lun;WANG Li-Qiang;LIU Zu-Li;ZOU Wei-Dong;LUO Shi-Jun;ZU Feng-Xia;ZHU Lin. Ab-Initio Study of Electronic Structure and Magnetic Properties of Pipz-H2 [MnF4 (HF2 )] [J]. 中国物理快报, 2003, 20(10): 1710-1713.
[14]
HE Guo-Min;LI Shu-Ping;HUANG Mei-Chun. Structural and Electronic Properties of RuSi, RuGe and OsSi
[J]. 中国物理快报, 2001, 18(10): 1389-1391.
[15]
WU Hua;ZHENG Qing-qi;. Exchange Splitting and Insulating Gap in La2 CuO4 [J]. 中国物理快报, 1999, 16(3): 202-204.