First-principles calculations to investigate Structural, Electronic, optical and mechanical properties of Cu-based fluoroperovskite XCuF3 (X = K, Ru)-Reference-Cited by-同舟云学术

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First-principles calculations to investigate Structural, Electronic, optical and mechanical properties of Cu-based fluoroperovskite XCuF3 (X = K, Ru)

Published:2023-06 Issue: Volume:1224 Page:114115
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Usman Muhammad,Bilal. Tahir M.,Gouadria Soumaya,Khalid N.R.,Rahman Jalil,Ali Faisal,Isa Khan M.,Elhosiny Ali H.,Alrobei Hussein,Alzaid Meshal

Funder

Princess Nora bint Abdulrahman University

King Khalid University

King Khalid University Research Center for Advanced Material Science

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference29 articles.

1. Recent advances in perovskites: Processing and properties;Moure;Prog. Solid State Chem.,2015

2. Intriguing optoelectronic properties of metal halide perovskites;Manser;Chem. Rev.,2016

3. New directions in solid state chemistry;Rao,1997

4. Transition metal oxides;Rao,1998

5. The classification of tilted octahedra in perovskites;Glazer;Acta Crystallogr. Sect. B: Struct. Crystallogr. Cryst. Chem.,1972

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4. The use of nonlocal corrections and SCAN to compute the electronic, optical and thermoelectric properties of XCuF3(X = K, Rb);Optik;2024-08

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