Symmetry-lowering lattice distortion at the spin-reorientation in MnBi single crystals

TL;DR

This study investigates the structural phase transition in MnBi at 90 K, revealing a symmetry-lowering lattice distortion driven by magneto-elastic coupling, which impacts its magnetic and transport properties.

Contribution

It provides the first detailed analysis of the low-temperature orthorhombic structure of MnBi and links it to magneto-elastic effects affecting its magnetic behavior.

Findings

Structural phase transition from hexagonal to orthorhombic at 90 K.

Magneto-elastic coupling drives the lattice distortion.

Anisotropic thermal expansion influences spin reorientation.

Abstract

Structural and physical properties determined by measurements on large single crystals of the anisotropic ferromagnet MnBi are reported. The findings support the importance of magneto-elastic effects in this material. X-ray diffraction reveals a structural phase transition at the spin reorientation temperature $T_{SR}$ = 90 K. The distortion is driven by magneto-elastic coupling, and upon cooling transforms the structure from hexagonal to orthorhombic. Heat capacity measurements show a thermal anomaly at the crystallographic transition, which is suppressed rapidly by applied magnetic fields. Effects on the transport and anisotropic magnetic properties of the single crystals are also presented. Increasing anisotropy of the atomic displacement parameters for Bi with increasing temperature above $T_{SR}$ is revealed by neutron diffraction measurements. It is likely that this is directly related to the anisotropic thermal expansion in MnBi, which plays a key role in the spin reorientation and magnetocrystalline anisotropy. The identification of the true ground state crystal structure reported here may be important for future experimental and theoretical studies of this permanent magnet material, which have to date been performed and interpreted using only the high temperature structure.