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Robust half-metallic ferromagnetism in the zincblende CrSb

Bang-Gui Liu
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Abstract

Using the accurate first-principle method within density-functional theory, we systematically study CrSb in the zincblende (zb) structure. The zb CrSb is predicted of robust half-metallic ferromagnetism (HMFM) with a magnetic moment of 3.000 $μ_B$ per formula. It is much better than other zb compounds with HMFM because its spin-flip gap reaches 0.774 eV at the equilibrium volume and persists nonzero with its volume changing theoretically from -21% to +60%. It is found there may be a common mechanism for the HMFM in all the zb Cr- and Mn-pnictides. Since being compatible with the III-V semiconductors, this excellent HMFM of the zb CrSb should be useful in spin electronics and other applications.

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Bang-Gui Liu. 2002-09-24. Robust half-metallic ferromagnetism in the zincblende CrSb. https://doi.org/10.1103/physrevb.67.172411

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