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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...

Deskribapen osoa

Gorde:
Egile Nagusiak: Qi-Qi Liang, Qi Dai, Tian-Yu Tang, Hua-Xu Gao, Shi-Quan Wu, Yan-Lin Tang
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Elsevier 2024-03-01
Saila:Results in Physics
Gaiak:
Density functional theory
Electronic structure
Magnetic properties
Elastic properties
Sarrera elektronikoa:http://www.sciencedirect.com/science/article/pii/S2211379724001797
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