Chin. Phys. Lett.  1993, Vol. 10 Issue (6): 371-373    DOI:
Original Articles |
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
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ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun 1993 Chin. Phys. Lett. 10 371-373
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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.

Keywords: 71.20.-b     
Published: 01 June 1993
PACS:  71.20.-b (Electron density of states and band structure of crystalline solids)  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y1993/V10/I6/0371
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