First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites

The electronic properties of ABX3 type compounds in the cubic phase are systematically studied using the first-principles calculations. The chemical trend of their properties as A or B or X varies is fully investigated. The optical properties of the ABX3 compounds are also investigated. Our calculat...

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Bibliographic Details
Published in:Physics letters. A 2014-01, Vol.378 (3), p.290-293
Main Authors: Lang, Li, Yang, Ji-Hui, Liu, Heng-Rui, Xiang, H.J., Gong, X.G.
Format: Article
Language:English
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