Electronic structure and magnetic coupling properties of Gd-doped AlN: first-principles calculations |
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Authors: | Y J Zhang H-L Shi S X Wang P Zhang and R W Li |
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Institution: | (1) College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, 350108, Fujian, China; |
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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 Al14Gd2N16 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. |
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Keywords: | |
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