Density functional theory studies of the core excited energies of HgBa2CaCu2O6+δ

被引:0
|
作者
Lu, J. [1 ]
Zhang, S. [1 ]
Zhang, L. [1 ]
Li, J. [1 ]
Zhang, X. [1 ]
Zhao, X. [1 ]
机构
[1] Mesoscopic Physics Laboratory, Department of Physics, Peking University, Beijing, 100871, China
来源
Beijing Daxue Xuebao Ziran Kexue Ban/Acta Scientiarum uaturalium Universitatis Pekinensis | 2001年 / 37卷 / 03期
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摘要
Relativistic spin-polarized local density functional calculations have been performed for HgBa2CaCu2O6+δ. The calculated core excited energies essentially agree with the XPS spectra. The spin-orbit splittings are especially in satisfactory agreement with the observed ones.
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页码:336 / 339
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