Article ID Journal Published Year Pages File Type
10729215 Physics Letters A 2011 5 Pages PDF
Abstract
Through first-principles calculations and thermodynamic analysis, we investigate the stable chemical potential range for BiAlO3 with R3c and Pm3m symmetry. The possible vacancies of BiAlO3 are mostly at their charged state rather than neutral state. And vacancies are more easily formed in R3c system than Pm3m system under same condition.
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Related Topics
Physical Sciences and Engineering Physics and Astronomy Physics and Astronomy (General)
Preview
Stability of BiAlO3 and its vacancy defects: A first-principles study
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