Paper detail

Spin density in frustrated magnets under mechanical stress: Mn-based antiperovskites

In this paper we present results of our calculations of the non-collinear spin density distribution in the systems with frustrated triangular magnetic structure (Mn-based antiperovskite compounds, Mn_{3}AN (A=Ga, Zn)) in the ground state and under external mechanical strain. We show that the spin density in the (111)-plane of the unit cell forms a "domain" structure around each atomic site but it has a more complex structure than the uniform distribution of the rigid spin model, i.e. Mn atoms in the (111)-plane form non-uniform "spin clouds", with the shape and size of these "domains" being function of strain. We show that both magnitude and direction of the spin density change under compressive and tensile strains, and the orientation of "spin domains" correlates with the reversal of the strain, i.e. switching compressive to tensile strain (and vice versa) results in "reversal" of the domains. We present analysis for the intra-atomic spin-exchange interaction and the way it affects the spin density distribution. In particular, we show that the spin density inside the atomic sphere in the system under mechanical stress depends on the degree of localization of electronic states.