Phys. Rev. B 70, 052408 (2004) [4 pages]

Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (101̅ 0) thin films

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Q. Wang, Q. Sun, and P. Jena *
Physics Department, Virginia Commonwealth University, Richmond, Virginia 23284-2000, USA

Y. Kawazoe
Institute for Material Research, Tohoku University, Sendai, 980-8577, Japan

Received 13 May 2004; published 31 August 2004

Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (101̅ 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.


©2004 The American Physical Society

URL: http://link.aps.org/abstract/PRB/v70/e052408
DOI: 10.1103/PhysRevB.70.052408
PACS: 71.55.−i, 61.72.Ss, 71.15.Nc

* Author to whom correspondence should be addressed.

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