Dept. of Physics, Blackett Laboratory, Imperial College London, London SW7 2AZ UK
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 fieldinduced metamagnetism and associated magnetocaloric effects.
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https://arxiv.org/pdf/1003.5193.pdf
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