High-pressure effect on structural and magnetic properties of MnS

Abstract

The present contribution deals with the structural and magnetic properties of MnS at normal and high-pressure. The calculations are performed using the pseudopotential plane-wave method within the generalized gradient approximation. The non-magnetic and antiferromagnetic spin arrangements are examined. The effect of pressure on the lattice parameter and magnetic moment is analyzed and discussed. At zero pressure, our findings are found to be in reasonably good accord with experiment. All features of interest show a monotonic behavior under applied pressure.