Robust half-metallic ferromagnetism in the zincblende CrSb

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 ${\mu }_B$ 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.

4 pages 3 figs

References in corpus (2)

• Origin and Properties of the Gap in the Half-Ferromagnetic Heusler Alloys
• Surface Half-Metallicity of CrAs in the Zinc-Blende Structure

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