Largest Magnetic Moments in the Half-Heusler Alloys XCrZ (X = Li, K, Rb, Cs; Z = S, Se, Te): A First-Principles Study

A recent theoretical work indicates that intermetallic materials LiMnZ (Z = N, P) with a half-Heusler structure exhibit half-metallic (HM) behaviors at their strained lattice constants, and the magnetic moments of these alloys are expected to reach as high as 5 μB per formula unit. (Damewood et al....

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Bibliographic Details
Main Authors: Xiaotian Wang, Zhenxiang Cheng, Guodong Liu
Format: Article
Language:English
Published: MDPI AG 2017-09-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/10/9/1078