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

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.

References in corpus (4)

• Magnetic Order versus superconductivity in the Iron-based layered La(O1-xFx)FeAs systems
• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• Electronic structure and Magnetism in BaMn${}_2$As${}_2$ and BaMn${}_2$Sb${}_2$
• Group theory of Wannier functions providing the basis for a deeper understanding of magnetism and superconductivity