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Symmetry 2016, 8(10), 99; doi:10.3390/sym8100099

Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn2As2

Institut für Materialwissenschaft, Materialphysik, Universität Stuttgart, Stuttgart D-70569, Germany
Academic Editor: Victor Borovkov
Received: 9 June 2016 / Revised: 24 August 2016 / Accepted: 14 September 2016 / Published: 28 September 2016
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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. View Full-Text
Keywords: BaMn2As2; magnetism; small band gap semiconductor; nonadiabatic Heisenberg model; group theory BaMn2As2; magnetism; small band gap semiconductor; nonadiabatic Heisenberg model; group theory
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Krüger, E. Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn2As2. Symmetry 2016, 8, 99.

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