Finite-temperature magnetism of CrTe and CrSe

J Phys Condens Matter. 2010 Apr 21;22(15):156002. doi: 10.1088/0953-8984/22/15/156002. Epub 2010 Mar 29.


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