Tetragonal Superstructure of the Antiskyrmion Hosting Heusler Compound Mn1.4PtSn.

Skyrmions in non-centrosymmetric magnets are vortex-like spin arrangements, viewed as potential candidates for information storage devices. The crystal structure and noncollinear magnetic structure together with magnetic and spin-orbit interactions define the symmetry of the skyrmion structure. We outline the importance of these parameters in the Heusler compound Mn1.4PtSn which hosts antiskyrmions, a vortex-like spin texture related to skyrmions. We overcome the challenge of growing large micro-twin-free single crystals of Mn1.4PtSn, which has proved to be the bottleneck for realizing bulk skyrmionic/antiskyrmionic states in a compound. The use of 5d-transition metal, platinum, together with manganese as constituents in the Heusler compound such as Mn1.4PtSn is a precondition for the noncollinear magnetic structure. Because of the tetragonal inverse Heusler structure, Mn1.4PtSn exhibits large magneto-crystalline anisotropy and D 2d symmetry, which are necessary for antiskyrmions. The superstructure in Mn1.4PtSn is induced by Mn-vacancies, which enable a ferromagnetic exchange interaction to occur. Mn1.4PtSn, the first known tetragonal Heusler superstructure compound, opens up a new research direction for properties related to the superstructure in a family containing thousands of compounds.

First-principles study of the structural stability of cubic, tetragonal and hexagonal phases in Mn3Z (Z=Ga, Sn and Ge) Heusler compounds.

We investigate the structural stability and magnetic properties of the cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an important role as an intermediate state in the phase transition from the hexagonal to the tetragonal phases. Consequently, Mn3Ga and Mn3Ge behave differently from Mn3Sn, because the relative energies of the cubic and hexagonal phases are different. This result agrees with experimental observations for these three compounds. The weak ferromagnetism of the hexagonal phase and the perpendicular magnetocrystalline anisotropy of the tetragonal phase obtained in our calculations are also consistent with experiment.