Physical origin of the incommensurate spin spiral structure in Mn3Si

We report first-principles study of the magnetic structure of Mn3Si. The Mn atoms form two sublattices. One of them is (Mn-perpendicular to) characterized by large atomic magnetic moments and the other one Mn-coproduct) possesses induced moments. It is shown that in agreement with experiment the magnetic ground state is a spin spiral. We found that the spiral magnetic structure is formed as a result of the competition between direct antiferromagnetic interaction of the Mn-I magnetic moments and indirect ferromagnetic interaction of the same moments through the magnetic moment of the Mn-coproduct sublattice. We demonstrate that this competition is strongly volume dependent and leads to volume dependence of the wave vector of the spin spiral. These properties are related to the volume dependence of the induced moments of Mn-coproduct atoms. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3068422]