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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Autori principali:	Qi-Qi Liang, Qi Dai, Tian-Yu Tang, Hua-Xu Gao, Shi-Quan Wu, Yan-Lin Tang
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	Elsevier 2024-03-01
Serie:	Results in Physics
Soggetti:	Density functional theory Electronic structure Magnetic properties Elastic properties
Accesso online:	http://www.sciencedirect.com/science/article/pii/S2211379724001797
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