Effect of the Two Distinct Bi on the Electronic Structure of BaBiO<suB>3</suB>

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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