Computational Insight on K2AuBiX6 (X = F, Cl, Br, I) Double Perovskites to Comprehensively Investigate Mechanical, Optoelectronic, and Thermoelectric Features for Green Energy Applications

M. Basit Shakir,G. Murtaza,Ahmad Ayyaz,Maryam Touqir, Hummaira Khan, Ali Akremi, Hafiz Irfan Ali,Ahmad Usman, Abeer S. Altowyan, Khubaib Iqbal

MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS（2024）

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Lead-free double perovskite,DFT,Mechanical stability,Optical,Green energy

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