Unveiling Superior Fracture Toughness in MnCoSb Half-Heusler Alloy: A First-Principles Guide for Designing Damage-Tolerant Functional Materials

In this study, the stability, electronic, structural, and fracture toughness, and mechanical properties of the Half-Heusler(HH) alloys MnCoSb, MnCoAs, MnCoP, and MnNiSb were comprehensively investigated using first-principles calculations based on density functional theory (DFT). The calculated resu...

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Detalhes bibliográficos

Principais autores:	Ai Qin, Shao-Bo Chen, Lin-Zi Tu, Jia-Hao Wang, Wan-Jun Yan, Tinghong Gao, Kuang-Min Gao, Jing Zhao
Formato:	Artigo
Idioma:	Inglês
Publicado em:	MDPI AG 2026-06-01
coleção:	Molecules
Assuntos:	mechanical properties fracture toughness first-principles calculations Half-Heusler alloys
Acesso em linha:	https://www.mdpi.com/1420-3049/31/12/1994
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