Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/36087
Title: Surface magnetism of Mg doped AlN : a first principle study
Authors: Chintalapati, S
Yang, M
Lau, SP 
Feng, YP
Keywords: Surface magentism
Dilute magnetic semiconductors
First principle calculations
Issue Date: 2014
Publisher: Institute of Physics Publishing
Source: Journal of physics condensed matter, 2014, v. 26, no. 43, 435801 How to cite?
Journal: Journal of physics condensed matter 
Abstract: Using first-principles calculations, we have systematically investigated the magnetic properties of Mg-doped AlN (1 0 (1) over bar 0) and (0 0 0 (1) over bar) surfaces. Both the polar and non-polar surfaces are found to be magnetic and the magnetic moments are mainly due to spin polarized 2p orbitals of surface N atoms surrounding Mg. The splitting of energy levels in both cases favours charge hopping between the minority spin states of N 2p orbitals, which leads to a stable ferromagnetic ground state. However, the range of magnetic coupling and the stability of the ferromagnetic state differ between the polar and non-polar surfaces and are dependent on the nature of localization of the defect states. The ferromagnetic state in a Mg-doped reconstructed (0 0 0 (1) over bar) surface is more stable than in a Mg-doped AlN (1 0 (1) over bar 0) surface.
URI: http://hdl.handle.net/10397/36087
ISSN: 0953-8984 (print)
1361-648X (online)
DOI: 10.1088/0953-8984/26/43/435801
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