DFT study of cerium doped aluminum nitride
Physics Department, University of Gujrat, 50700
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Revised: 13 June 2015
Accepted: 19 June 2015
Published online: 29 July 2015
Ce:AlN was studied while searching for resourceful diluted magnetic semiconductors. First principle calculations were implemented to study the electronic, optical and magnetic properties of the material. Dopant Ce substituted cationic sites favors the ferromagnetic ground state and orbital interaction supports the formation of N2p-Ce4f bridge. The major component of magnetic moment is originated from dopant which shows parallel coupling with Al atoms but anti-parallel coupling with neighboring N. Moreover, Ce polarizes Al more than N atom. A competition between carrier mediated and indirect exchange interactions is suggested.
© EDP Sciences, 2015