4.6 Article

Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (10(1)over-bar-0) thin films

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PHYSICAL REVIEW B
卷 70, 期 5, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.70.052408

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Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (10(1) over bar 0) thin film changes from antiferromagnetic to ferromagnetic when codoped with N. The ferromagnetic coupling between Mn spins arises due to the overlap between N 2p and Mn 3d electrons in the spin up band, rendering the system half-metallic character.

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