Electronic structure and magnetic coupling properties of Gd-doped AlN: first-principles calculations

Y. J. Zhang, H.-L. Shi, S. X. Wang, P. Zhang and R. W. Li ()

The European Physical Journal B: Condensed Matter and Complex Systems, 2010, vol. 77, issue 3, 345-349

Abstract: In this work, the electronic structure and magnetic coupling properties of Gd doped AlN have been investigated using first-principles method. We found that in the AlN:Gd system, due to the s-f coupling allowed by the symmetry, the exchange splitting of the conduction band is much larger than that of the valence band, which makes the electron-mediated ferromagnetism possible in this material. This property is also confirmed by the energy differences between anti-ferromagnetic and ferromagnetic phase for Al 14 Gd 2 N 16 with different concentrations of electrons (holes), as well as by the calculated exchange constants. The result indicates that Gd-doped AlN is a promising candidate for the applications in future spintronic devices. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2010

Date: 2010
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DOI: 10.1140/epjb/e2010-00273-4

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