Magnetic Phase Transition in MnSi on the Base of the LSDA + U + SO Calculations of the Electronic Structure and the Spin-Fluctuation Theory

Abstract

Spin states appearing near the magnetic phase transition in helicoidal ferromagnet MnSi are studied on the basis of the spin-fluctuation theory and the LSDA + U + SO calculations of the electronic structure. The temperature dependence of the uniform magnetic susceptibility is calculated near the magnetic phase transition temperature, and the result agrees well with the experiment. Spin correlators corresponding to various solutions of the equation of magnetic state are determined in the region of the magnetic phase transition expanded in temperature. It is shown that, in this region, a helicoidal short-range order appears in the form of the superposition of left and right spin spirals with stochastic weight coefficients. It is shown that the magnetic susceptibility divergences on the helicoid wave vector at the temperature of disappearance of local magnetization and during the transition to the paramagnetic state.