Crystal structure and magnetism of MnO under pressure

Klotz, S.*; Komatsu, Kazuki*; Polian, A.*; Machida, Shinichi*; Sano, Asami; Iti, J.-P.*; Hattori, Takanori

Physical Review B, 101(6), p.064105_1 - 064105_6, 2020/02

https://doi.org/10.1103/PhysRevB.101.064105

Manganese oxide (MnO) is a prototype of an antiferromagnetic Mott-insulator. Here we investigate the interplay of magnetic ordering and lattice distortion across the Nel temperature under pressure using neutron and X-ray diffraction. We find an increase of with a rate of = +4.5(5) K/GPa, an increase of the rhombohedral distortion by = +0.018/GPa, as well as a volume striction which is insensitive to pressure. These results allow to retrieve the dependence of the coupling constants and on interatomic distances and compare it to first-principles predictions. Antiferromagnetic diffuse scattering was observed up to 1.2 , and long-range magnetic order appears at room temperature at 42 GPa.