Density functional theory analysis of structural, electronic, and optical properties of AInX3 (A = K, Rb, Cs and X = Cl, Br) perovskites

被引：0
|
作者：
Ullah, Sana [1 ,2 ]
Mu, Yanqi [1 ,2 ]
Xie, Guancai [1 ,2 ,3 ]
Gong, Jian Ru [1 ,2 ]
机构：
[1] Chinese Academy of Sciences (CAS) Center for Excellence in Nanoscience, CAS Key Laboratory of Nanosystem and Hierarchy Fabrication, National Center for Nanoscience and Technology, Beijing,100190, China
[2] University of Chinese Academy of Sciences, Beijing,100049, China
[3] Beijing Graphene Institute (BGI), Beijing,100095, China
来源：
MRS Communications | 2024年 / 14卷 / 06期
基金：
中国国家自然科学基金;
关键词：
Ab initio density functionals - Computation/computing - Cubic perovskite - Density-functional-theory - Electronic and optical properties - Electronic.structure - Inorganic metals - Lead-Free - Optical- - Property;
D O I：
10.1557/s43579-024-00662-0
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：1431 / 1438
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