Insight into the structural, mechanical, electronic and optical properties of X2CuAsF6 (X = Na, K) double perovskites for high energy applications employing DFT-Reference-Cited by-同舟云学术

Insight into the structural, mechanical, electronic and optical properties of X2CuAsF6 (X = Na, K) double perovskites for high energy applications employing DFT

Published:2024-08 Issue: Volume:166 Page:112625
ISSN:1387-7003
Container-title:Inorganic Chemistry Communications
language:en
Short-container-title:Inorganic Chemistry Communications

Author:

Rahman Nasir,Husain Mudasser,Ullah Wasi,Azzouz-Rached Ahmed,Alawaideh Yazen. M.,Albalawi Hind,Bayhan Zahra,Alsalhi Sarah A.,Algethami Norah,Hamza Rekab-Djabri

Funder

Taif University

Publisher

Elsevier BV

Reference47 articles.

1. Electronic structure, optical and transport properties of double Perovskite La2NbMnO6: A theoretical understanding from DFT calculations;Parrey;J. Electron. Mater.,2018

2. Insight into the structural, optoelectronic, elastic and thermodynamic properties of new lead free double halides perovskites Cs2XCuF6 (X= Sc, Y): A first principle study;Rahman;Phys. Scr.,2023

3. Optoelectronic and elastic properties of metal halides double perovskites Cs 2 InBiX 6 (X= F, Cl, Br, I);Saeed;Chinese Opt. Lett.,2021

4. First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X= Cl, Br, and I);Saeed;J. Phys. Chem. Solids,2022

5. Density functional theory screening of some fundamental physical properties of Cs2InSbCl6 and Cs2InBiCl6 double perovskites;Alnujaim;Eur. Phys. J. B,2022

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