FERROMAGNETIC PROPERTIES IN V-DOPED AlN FROM FIRST PRINCIPLES

2012 
Using the first-principles method based on the density functional theory, we have calculated electronic structure of zinc blende AlN doped with 6.25% of V. The V dopants are found spin polarized and the calculated band structures suggest a 100% polarization of the conduction carriers. The ferromagnetic ground state in V-doped AlN can be explained in terms of double-exchange mechanism, and a Curie temperature above room temperature can be expected. These results suggest that the V-doped AlN may present a promising dilute magnetic semiconductor and find applications in the field of spintronics.
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