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First-principles calculations to investigate structural, elastic, mechanical, electronic, magnetic and optical properties of CsCrTe and CsMnTe half-Heusler alloys with varying atomic arrangements

A Ben Zoubair A. Samih R. El Fdil Aziz Nfissi M Es-Semyhy E. Salmani Z. Fadil Chaitany Jayprakash Raorane Seong‐Cheol Kim S. Saadaoui

Year: 2025 Journal: Journal of Molecular Graphics and Modelling Vol: 142 Pages: 109196-109196 Publisher: Elsevier BV

DOI: 10.1016/j.jmgm.2025.109196

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