An ab initio Study on the Mechanical Stability, Spin-Dependent Electronic Properties, Molecular Orbital Predictions, and Optical Features of Antiperovskite A(3)InN (A = Co, Ni)

[Image: see text] Structural, mechanical, spin-dependent electronic, magnetic, and optical properties of antiperovskite nitrides A(3)InN (A = Co, Ni) along with molecular orbital diagram are investigated here by using an ab initio density functional theory (DFT). The mechanical stability, deformatio...

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Detalles Bibliográficos
Autores principales: Karim, Al Momin Md Tanveer, Jubair, Md, Nuruzzaman, Md, Zilani, Md Abdul Kader
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9088782/
https://www.ncbi.nlm.nih.gov/pubmed/35559198
http://dx.doi.org/10.1021/acsomega.1c07039

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