Electronic structure and magnetic properties of Mn₁-xCrxSb alloys
G Kuhn1, M Thubauville, S Polesya
1Deptartment of Chemie/Physics Chemie, Universität München, Butenandtstr 5-13, D-81377 München, Germany.
Abstract:
The electronic structure and magnetic properties of Mn₁-xCrxSb alloys were investigated for the full concentration range. The stability of the concentration-dependent magnetic structure of the alloys were analysed on the basis of spin-spiral calculations as well as using the Monte Carlo (MC) simulations based on the Heisenberg model with the exchange coupling parameters calculated from first-principles. A leading contribution to the canted magnetic structure in Mn₁-xCrxSb is the competition of the direct Cr-Cr and Mn-Mn exchange interactions having opposite signs. Furthermore, a strong impact of long-distance RKKY-type interactions is demonstrated. MC simulations at finite temperature were used to obtain the magnetic phase diagram for Mn₁-xCrxSb alloys, which is in reasonable agreement with the experimental data.
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