期刊
PHYSICS LETTERS A
卷 378, 期 3, 页码 290-293出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2013.11.018
关键词
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资金
- Special Funds for Major State Basic Research
- National Science Foundation of China (NSFC)
- Ministry of Education
- Shanghai Municipality
- FANEDD
- Eastern Scholar Program
The electronic properties of ABX(3) 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 ABX(3) 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. (C) 2013 Elsevier B.V. All rights reserved.
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