GGA and GGA Plus U Study of Half-Metallic Quaternary Heusler Compound CoCrScSn

The structural, mechanical, electronic, magnetic, and half-metallic properties of quaternary Heusler compound CoCrScSn are studied using the GGA and GGA + U method based on first-principles calculations. It is found that Type-I structure of CoCrScSn compound is the most stable, and its ground state...

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Autors principals:	Chuankun Zhang, Haiming Huang, Chengrui Wu, Zhanwu Zhu, Zedong He, Guoying Liu
Format:	Artigo
Idioma:	Inglês
Publicat:	Frontiers Media S.A. 2020-06-01
Col·lecció:	Frontiers in Physics
Matèries:	heusler half-metal elastic constant first-principles spintronics
Accés en línia:	https://www.frontiersin.org/article/10.3389/fphy.2020.00232/full
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