Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3
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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.
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ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun. Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3[J]. Chin. Phys. Lett., 1993, 10(6): 371-373.
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ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun. Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3[J]. Chin. Phys. Lett., 1993, 10(6): 371-373.
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ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun. Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3[J]. Chin. Phys. Lett., 1993, 10(6): 371-373.
|
ZHANG Zhipeng, SHEN Yaowen, HUANG Meichun. Effect of the Two Distinct Bi on the Electronic Structure of BaBiO3[J]. Chin. Phys. Lett., 1993, 10(6): 371-373.
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