Structurally driven metamagnetism in MnP and related Pnma compounds

Details Structurally driven metamagnetism in MnP and related Pnma compounds Structurally driven metamagnetism in MnP and related Pnma compounds

2010-03-26

arxiv.org/abs/1003.5193v2

Phys. Rev. B 81, 224426 (2010)

Physics

Condensed Matter

Materials Science

8 pages, 9 figures

Scientific paper

10.1103/PhysRevB.81.224426

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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