Spin Polarization and Magnetic Properties of V{sub Ga}O{sub N} and V{sub Ga}O{sub N}In{sub Ga} in GaN: GGA+U Approach
- Institute of Physics PAS (Poland)
Electronic structure of a defect center containing the gallium vacancy and substitutional oxygen atom at nitrogen site (V{sub Ga}O{sub N}) in zinc blende and wurtzite GaN was analyzed within GGA+U approach. The +U term was applied to d(Ga), p(N), p(O), and d(In). Neutral V{sub Ga}O{sub N} is in the stable high spin state with spin S = 1. The defect structure is strongly dependent on geometry of the defect and the charge state. Two spin structures, which arise due to two different configurations in V{sub Ga}O{sub N}, with O{sub N} either along the c-axis or in one of three equivalent tetrahedral positions in wurtzite structure were analyzed. The weak ferromagnetic coupling between centers was found. The strength of magnetic coupling is increased when there is a complex containing V{sub Ga}O{sub N} with additional substitutional indium atom at the second neighbor to vacancy gallium site (V{sub Ga}O{sub N}In{sub Ga}). Magnetic coupling between V{sub Ga}O{sub N}In{sub Ga} is ferromagnetic due to strong spin polarization of p electrons of the nearest and distant nitrogen atoms.
- OSTI ID:
- 22922930
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Vol. 32, Issue 8; Other Information: Copyright (c) 2019 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2019 The Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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