Abstract

An investigation on the electronic and magnetic properties of NiAs-type CrTe and CrSe hasbeen performed for ferromagnetic, antiferromagnetic and non-collinear spin configurations,using the spin-polarized relativistic KKR (Korringa–Kohn–Rostoker) band structuremethod. Calculated exchange coupling parameters, as well as the total energy calculatedas a function of the tilt angle of magnetic moments, indicate the presence of anon-collinear spin structure in CrTe and CrSe. The existence of a non-collinear spinstructure is also shown by Monte Carlo (MC) simulations used for studies on thetemperature dependent magnetization. The results are compared with available results inthe literature and are in satisfactory agreement with the experimental results.

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