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

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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Bibliographic Details
Main Authors: Qi-Qi Liang, Qi Dai, Tian-Yu Tang, Hua-Xu Gao, Shi-Quan Wu, Yan-Lin Tang
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Results in Physics
Subjects:
Density functional theory
Electronic structure
Magnetic properties
Elastic properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379724001797

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http://www.sciencedirect.com/science/article/pii/S2211379724001797

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