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arXiv · 1607.05890

Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn$_2$As$_2$

Ekkehard Krüger
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Abstract

We report evidence that the experimentally found antiferromagnetic structure as well as the semiconducting ground state of BaMn$_2$As$_2$ are caused by optimally-localized Wannier states of special symmetry existing at the Fermi level of BaMn$_2$As$_2$. In addition, we find that a (small) tetragonal distortion of the crystal is required to stabilize the antiferromagnetic semiconducting state. To our knowledge, this distortion has not yet been established experimentally.

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Ekkehard Krüger. 2016-07-20. Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn$_2$As$_2$. https://doi.org/10.3390/sym8100099

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