First-principles calculations to investigate structural, electronic, and elastic properties of Fe3SnC ternary alloy

In this paper, the structural, electronic, and elastic properties of Fe3SnC were calculated based on local density approximation (LDA) and generalized gradient approximation (GGA) in density functional theory (DFT). Compared with GGA, LDA underestimates lattice constants and overestimates binding en...

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Dades bibliogràfiques

Autors principals:	Qi-Qi Liang, Qi Dai, Tian-Yu Tang, Hua-Xu Gao, Shi-Quan Wu, Yan-Lin Tang
Format:	Artigo
Idioma:	Inglês
Publicat:	Elsevier 2024-03-01
Col·lecció:	Results in Physics
Matèries:	Density functional theory Electronic structure Magnetic properties Elastic properties
Accés en línia:	http://www.sciencedirect.com/science/article/pii/S2211379724001797
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