title: Electronic structure and magnetic properties of Mn₁-xCrxSb alloys.
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.
authors.affiliation: Deptartment of Chemie/Physics Chemie, Universität München, Butenandtstr 5-13, D-81377 München, Germany.
authors.forename: G
authors.initials: G
authors.lastname: Kuhn
authors.forename: M
authors.initials: M
authors.lastname: Thubauville
authors.forename: S
authors.initials: S
authors.lastname: Polesya
authors.forename: S
authors.initials: S
authors.lastname: Mankovsky
authors.forename: D
authors.initials: D
authors.lastname: Benea
authors.forename: M
authors.initials: M
authors.lastname: Regus
authors.forename: W
authors.initials: W
authors.lastname: Bensch
authors.forename: H
authors.initials: H
authors.lastname: Ebert