Abstract
Using first-principles calculations, we have systematically investigated the magnetic propertiesof Mg-doped AlN 1 0 1 0 and 0 0 01 surfaces. Both the polar and non-polar surfaces arefound to be magnetic and the magnetic moments are mainly due to spin polarized 2p orbitalsof surface N atoms surrounding Mg. The splitting of energy levels in both cases favourscharge hopping between the minority spin states of N 2p orbitals, which leads to a stableferromagnetic ground state. However, the range of magnetic coupling and the stability of theferromagnetic state differ between the polar and non-polar surfaces and are dependent on thenature of localization of the defect states. The ferromagnetic state in a Mg-dopedreconstructed (0 0 0 ?1) surface is more stable than in a Mg-doped AlN (1 0 10) surface.
Original language | English |
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Article number | 435801 |
Journal | Journal of Physics Condensed Matter |
Volume | 26 |
Issue number | 43 |
DOIs | |
Publication status | Published - 29 Oct 2014 |
Keywords
- dilute magnetic semiconductors
- first principle calculations
- surface magnetism
ASJC Scopus subject areas
- General Materials Science
- Condensed Matter Physics