Probing the physical properties of novel lead-free double perovskites A<sub>2</sub>NaAsCl<sub>6</sub> (A = K and Rb): a first-principles approach
Nazia ErumComputational Materials Physics Laboratory, Institute of Physics (IoP), Bahauddin Zakariya University, (60800) Multan, PakistanRamesh SharmaDepartments of Applied Science, Feroze Gandhi Institute of Engineering & Technology, Raebareli, UP, IndiaAbhinav KumarDepartment of Nuclear and Renewable Energy, Ural Federal University Named after the First President of Russia Boris Yeltsin, Ekaterinburg 620002, RussiaJajneswar NandaDepartment of Mechanical Engineering, Siksha 'O' Anusandhan (Deemed to be University), Bhubaneswar, Odisha-751030, IndiaNargiza KamolovaDepartment of Chemistry and Its Teaching Methods, Tashkent State Pedagogical University, Tashkent, UzbekistanRefka GhodhbaniCenter for Scientific Research and Entrepreneurship, Northern Border University, 73213, Arar, Saudi Arabia
ABI
Аннотация
The double perovskites A₂NaAsCl₆ (A = K, Rb) have been investigated through computational techniques, revealing an indirect band gap and highlighting their potential for use in clean energy applications.
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