Electronic and optical properties of vacancy ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study

Abstract The highly successful PBE functional and the modified Becke–Johnson exchange potential were used to calculate the structural, electronic, and optical properties of the vacancy-ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; X = Cl, Br, and I) using the density functional theor...

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Autores principales: Muhammad Faizan, K. C. Bhamu, Ghulam Murtaza, Xin He, Neeraj Kulhari, Murefah Mana AL‐Anazy, Shah Haidar Khan
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/7a263cac200d42cdb067f0aa35eb5db0
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