Revealing structural, elastic, electronic and optical properties of potential perovskites K2CuBiX6 (X=Br, Cl) based on first-principles

被引：0
|
作者：
Hu, De-Yuan [1 ]
Zhao, Xian-Hao [1 ]
Tang, Tian-Yu [1 ]
Lu, Li-Min [1 ]
Li, Li [1 ]
Gao, Li-Ke [2 ]
Tang, Yan-Lin [1 ]
机构：
[1] School of Physics, Guizhou University, Guiyang,550025, China
[2] School of Big Data and Information Engineering, Guizhou University, Guiyang,550025, China
来源：
Journal of Solid State Chemistry | 2022年 / 310卷
基金：
中国国家自然科学基金;
关键词：
Band-gap values - Elastic electronics - Electronic and optical properties - Electronic.structure - First principle calculations - First principles - Formation energies - K2CuBiX6 - Optoelectronics devices - Two-materials;
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摘要：
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