Electronic Structure of Cr–Mn–V–Z System Based on Heusler Mn2VZ (Z = Al, Ga)

Abstract

On the basis of first-principles calculations of (Mn 1- x Cr x ) 2 VZ and Mn 2 (V 1- y Y y )Z (Y = Cr, Mn; Z = Al, Ga), we have shown the possibility of getting highly spin-polarized ( P ≥90%) alloys of magnetic moments ranging from -2 to 0 µ B /f.u. in these systems. Moreover, these systems has the ferrimagnetic state as the most stable magnetic state. The systems Mn 2 (V 1- y Y y )Z have a high spin polarization (larger than 90%) for 0 ≤ y ≤1. The spin polarization ( P ) of (Mn 1- x Cr x ) 2 VZ markedly decreases for x ≥0.5. The cause of the drastic change is not the disappearance of a gap but the location of the E F in the up-spin band.