New p- and n-type ferromagnetic semiconductors: Cr-doped BaZn2As2

Bo Gu; Sadamichi Maekawa

doi:10.1063/1.4973208

New p- and n-type ferromagnetic semiconductors: Cr-doped BaZn2As2

Materials Science 2016-12-26 v1

Authors: Bo Gu , Sadamichi Maekawa

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Abstract

We find new ferromagnetic semiconductors, Cr-doped BaZn2As2, by employing a combined method of the density functional theory and the quantum Monte Carlo simulation. Due to a narrow band gap of 0.2 eV in host BaZn2As2 and the different hybridization of 3d orbitals of Cr impurity, the impurity bound states have been induced both below the top of valence band and above the bottom of conduction band. The long-range ferromagnetic coupling between Cr impurities is obtained with both p- and n-type carriers.

Keywords

ferromagnetic semiconductors Cr-doped BaZn2As2 density functional theory quantum Monte Carlo impurity bound states long-range ferromagnetic coupling

Cite

@article{arxiv.1610.03578,
  title  = {New p- and n-type ferromagnetic semiconductors: Cr-doped BaZn2As2},
  author = {Bo Gu and Sadamichi Maekawa},
  journal= {arXiv preprint arXiv:1610.03578},
  year   = {2016}
}

Comments

4 pages, 4 figures. arXiv admin note: substantial text overlap with arXiv:1601.05165

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