Abstract
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 Mn-containing alloys that possess field-induced metamagnetism and associated magnetocaloric effects.
2 More- Received 26 March 2010
DOI:https://doi.org/10.1103/PhysRevB.81.224426
©2010 American Physical Society