| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10727746 | Physics Letters A | 2014 | 4 Pages |
Abstract
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 calculations show that taking into account the spin-orbit coupling effect is crucial for predicting the accurate band gap of these halide perovskites. We predict that CH3NH3SnBr3 is a promising material for solar cells absorber with a perfect band gap and good optical absorption.
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Physical Sciences and Engineering
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Authors
Li Lang, Ji-Hui Yang, Heng-Rui Liu, H.J. Xiang, X.G. Gong,