Structural, electronic and magnetocaloric properties of antiskyrmion hosting Heusler compounds: Mn2PtSn and Mn1.4PtSn

Abstract

In this work, we have studied the structure, electronic and magnetic properties of Mn2PtSn and Mn1.4PtSn by using the ab initio calculations and Monte Carlo study. The ab initio calculations, based on the functional theory of density combined with the method of linear augmented plane waves at potential, are performed to investigate both electronic and magnetic properties of the two compounds. The total and partial densities of two systems have been calculated. Mn1.4PtSn, the first known Heusler tetragonal (Mn vacancy-induced) superstructure compound, opens a new direction of research for superstructure-related properties in a family containing multiple compounds. We have deduced the total magnetic moment of the two systems. We observe an anisotropic fractal magnetic pattern of zero-field closing domains above the spin-reorientation transition temperature, which transforms into a set of high-field bubble domains. Below the spin-reorientation transition temperature, the strong in-plane anisotropy as well as the zero-field fractal self-affinity is gradually lost, while the formation of high-field bubble domains remains robust. The magnetization, specific heat and magnetic entropy change have been obtained by using the Monte Carlo simulations. The relative cooling power has been obtained for different values of external magnetic field and temperatures.