High performance double perovskites of Cs2InAgBr6 and Cs2InAgCl6 structural electronic optical and thermoelectric properties for next generation photovoltaics

High performance double perovskites of Cs2InAgBr6 and Cs2InAgCl6 structural electronic optical and thermoelectric properties for next generation photovoltaics

Abstract First-principles calculations carried out using the full potential linearized augmented planewave (FPLAPW) method as implemented in the Wien2K code indicate that the ground state volume of Cs2AgInBr6 and Cs2AgInCl6 is 2400 (a.u)3 and 2050 (a.u)3, which corresponds to a unit cell energy mini...

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Bibliographic Details
Main Authors: M. Fatmi, K. Bouferrache, M. A. Ghebouli, B. Ghebouli, Faisal Katib Alanazi, Munirah D. Albaqami, Saikh Mohammad, A. Benali
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Ab-initio
DFT
Structural characterization
Electronic properties
Thermoelectric
Optic
Online Access:https://doi.org/10.1038/s41598-025-04600-5
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