Index of content:
Volume 34, Issue 1, January 2008
- LOW-TEMPERATURE MAGNETISM
Electronic structure of collinear states in magnetically ordered phases of some alloys of the system34(2008); http://dx.doi.org/10.1063/1.2832355View Description Hide Description
First-principles calculations using the SPRKKR program package are done to investigate the electronic and magnetic structures of some alloys of the system with a tetragonal crystal structure (space group ). Different versions of collinear antiferromagnetic and ferrimagnetic ( , 1.31, 1.35) structures, in which the magnetic moments of the atoms lie in the basal plane of a tetragonal lattice, are considered. It is shown that in the lowest energy belongs to an antiferromagnetic structure of the type. To determine the possible magnetic structure of the ferrimagnetic phase that is induced in the given alloys by a magnetic field, a study was done for the four possible ferrimagnetic configurations for which the magnetic cell is the same as the crystallographic cell. It is found that for one of them the dependence of the magnetization on the Mn concentration is in qualitative agreement with the experimental data. It is shown that for all the antiferromagnetic and ferrimagnetic configurations studied, the value of the magnetic moments is not noticeably affected by a change of their orientation. Based on a comparison of the results of the calculations with various experimental data, it is concluded that there is a demand for refined neutron-diffraction studies of the system in the concentration region .