We investigate the structural conditions for metamagnetism in MnP and related materials using Density Functional Theory. A magnetic stability plot is constructed taking into account the two shortest Mn-Mn distances. We find that a particular Mn-Mn separation plays the dominant role in determining the change from antiferromagnetic to ferromagnetic order in such systems. We establish a good correlation between our calculations and structural and magnetic data from the literature. Based on our approach it should be possible to find new Mn-containing alloys that possess field-induced metamagnetism and associated magnetocaloric effects.
@article{arxiv.1003.5193,
title = {Structurally driven metamagnetism in MnP and related Pnma compounds},
author = {Z. Gercsi and K. G. Sandeman},
journal= {arXiv preprint arXiv:1003.5193},
year = {2010}
}