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Title: A comparative study on magnetism in Zn-doped AlN and GaN from first-principles

First-principles calculations have been used to comparatively investigate electronic and magnetic properties of Zn-doped AlN and GaN. A total magnetic moment of 1.0 μB{sub B} induced by Zn is found in AlN, but not in GaN. Analyses show that the origin of spontaneous polarization not only depend on the localized atomic orbitals of N and sufficient hole concentration, but also the relative intensity of the covalency of matrix. The relatively stronger covalent character of GaN with respect to AlN impedes forming local magnetic moment in GaN matrix. Our study offers a fresh sight of spontaneous spin polarization in d⁰ magnetism. The much stronger ferromagnetic coupling in c-plane of AlN means that it is feasible to realize long-range ferromagnetic order via monolayer delta-doping. This can apply to other wide band-gap semiconductors in wurtzite structure.
Authors:
; ;  [1] ; ;  [2]
  1. School of Physics and Microelectronics, Hunan University, Changsha 410082 (China)
  2. Department of Physics and Mathematics, Hunan Institute of Engineering, Xiangtan 411104 (China)
Publication Date:
OSTI Identifier:
22305960
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 10; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM NITRIDES; COMPUTERIZED SIMULATION; COUPLING; COVALENCE; DOPED MATERIALS; ELECTRICAL PROPERTIES; GALLIUM NITRIDES; HOLES; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETISM; POLARIZATION; SEMICONDUCTOR MATERIALS; SPIN ORIENTATION; ZINC ADDITIONS