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arXiv · 1003.5193

Structurally driven metamagnetism in MnP and related Pnma compounds

Z. Gercsi·K. G. Sandeman
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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 new Mn-containing alloys that possess field-induced metamagnetism and associated magnetocaloric effects.

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Z. Gercsi, K. G. Sandeman. 2010-05-26. Structurally driven metamagnetism in MnP and related Pnma compounds. https://doi.org/10.1103/physrevb.81.224426

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