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Computational search for itinerant n-type and p-type magnetic semiconductors: Arsenopyrites as bipolar magnetic semiconductors

Bing-Hua Lei1 and David J. Singh1,2,*

  • 1Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211-7010, USA
  • 2Department of Chemistry, University of Missouri, Columbia, Missouri 65211, USA

  • *singhdj@missouri.edu

Phys. Rev. B 105, L121201 – Published 7 March, 2022

DOI: https://doi.org/10.1103/PhysRevB.105.L121201

Abstract

We report a computational search for three-dimensional bulk ferromagnetic semiconductors based on itinerant Stoner physics. Stoner-based ferromagnetic semiconductors require an unusual combination of high band edge density of states and moderate transport effective mass. Nonetheless, several potential materials are found. We identify arsenopyrites, exemplified by FeAsS, as materials that, with suitable doping, exhibit ferromagnetic semiconducting behavior for both n- and p-type dopants. The existence of a material that becomes ferromagnetic for both p and n types may enable device concepts, for example, ferromagnetic p−n junction devices.

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