The magnetically induced tetragonal lattice distortion observed in an antiferromagnetic metal, γMn, is studied using a total energy local spin density band theory approach. Good agreement is obtained with experiment for both the magnetic moment (2.3μB) and the size of the tetragonal distortion. The origin of the distortion is explained in terms of a directional property of the d-band bonding introduced by the antiferromagnetic ordering. Generalizing the results, any strong antiferromagnet with uniaxial magnetic structure is predicted to distort via a contraction perpendicular to the ferromagnetic lattice plane.
ASJC Scopus subject areas
- Condensed Matter Physics