Exchange Splitting and Insulating Gap in La2 CuO4
WU Hua1,2 , ZHENG Qing-qi1,3
1 Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031
2 Hefei Institute for Advanced Study, University of Science and Technology of China, Hefei 230026
3 State Key Laboratory for Magnetism, Chinese Academy of Sciences, Beijing 100080
Exchange Splitting and Insulating Gap in La2 CuO4
WU Hua1,2 ;ZHENG Qing-qi1,3
1 Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031
2 Hefei Institute for Advanced Study, University of Science and Technology of China, Hefei 230026
3 State Key Laboratory for Magnetism, Chinese Academy of Sciences, Beijing 100080
关键词 ：
71.20.-b ,
71.15.Mb
Abstract ： A full-potential band calculation for La2 CuO4 is performed within the local-spin-density approximation. It is shown that the strongly orbital-dependent exchange splittings due to the anisotropic exchange potential induce an antiferromagnetic and insulating solution improved upon the previous nonmagnetic and metallic one.
Key words ：
71.20.-b
71.15.Mb
出版日期: 1999-03-01
:
71.20.-b
(Electron density of states and band structure of crystalline solids)
71.15.Mb
(Density functional theory, local density approximation, gradient and other corrections)
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1999, Vol. 16 
