Robust half-metallic ferromagnetism in the zincblende CrSb

TL;DR

This paper predicts that zincblende CrSb exhibits robust half-metallic ferromagnetism with high spin-flip gap stability, making it promising for spintronic applications due to its compatibility with III-V semiconductors.

Contribution

The study demonstrates, through first-principles calculations, that zincblende CrSb has stable half-metallic ferromagnetism with a large spin-flip gap, highlighting its potential in spintronics.

Findings

Zb CrSb has a magnetic moment of 3.000 μ_B per formula.

The spin-flip gap reaches 0.774 eV at equilibrium volume.

HMFM persists over a volume change from -21% to +60%.

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.