Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (1010) thin films

Q. Wang; Q. Sun; P. Jena; Y. Kawazoe

doi:10.1103/PhysRevB.70.052408

Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (1010) thin films

Q. Wang, Q. Sun, P. Jena, Y. Kawazoe

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article › peer-review

122 Citations (Scopus)

Abstract

Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (1010) 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.

Original language	English
Article number	052408
Pages (from-to)	052408-1-052408-4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	70
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevB.70.052408
Publication status	Published - 2004 Aug

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.70.052408

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title = "Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (1010) thin films",

abstract = "Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (1010) 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.",

author = "Q. Wang and Q. Sun and P. Jena and Y. Kawazoe",

note = "Funding Information: This work was supported in part by a grant from the Office of Naval Research. The authors would like to express their sincere thanks to the crew of the Center for Computational Materials Science, the Institute for Materials Research, Tohoku University, for their continuous support of the HITAC SR8000 supercomputing facility.",

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doi = "10.1103/PhysRevB.70.052408",

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T1 - Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (1010) thin films

AU - Wang, Q.

AU - Sun, Q.

AU - Jena, P.

AU - Kawazoe, Y.

N1 - Funding Information: This work was supported in part by a grant from the Office of Naval Research. The authors would like to express their sincere thanks to the crew of the Center for Computational Materials Science, the Institute for Materials Research, Tohoku University, for their continuous support of the HITAC SR8000 supercomputing facility.

PY - 2004/8

Y1 - 2004/8

N2 - Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (1010) 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.

AB - Using first principles calculations based on the density functional theory and generalized gradient approximation we show that the ground state of Mn doped ZnO (1010) 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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Carrier-mediated ferromagnetism in N codoped (Zn,Mn)O (1010) thin films

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