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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...

詳細記述

保存先:
主要な著者: Qi-Qi Liang, Qi Dai, Tian-Yu Tang, Hua-Xu Gao, Shi-Quan Wu, Yan-Lin Tang
フォーマット: Artigo
言語:Inglês
出版事項: Elsevier 2024-03-01
シリーズ:Results in Physics
主題:
Density functional theory
Electronic structure
Magnetic properties
Elastic properties
オンライン･アクセス:http://www.sciencedirect.com/science/article/pii/S2211379724001797
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