Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)KAUST Catalysis Center (KCC)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2014Permanent link to this record
http://hdl.handle.net/10754/563201
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We apply first principles calculations to predict the effect of Cr doping on the electronic and magnetic properties of passivated AlN nanowires. We compare the energetics of the possible dopant sites and demonstrate the favorable configuration ferromagnetic ordering. The charge density of the pristine passivated AlN nanowires is used to elucidate the bonding character. Spin density maps demonstrate an induced spin polarization for N atoms next to dopant atoms, though most of the magnetism is carried by the Cr atoms. Cr-doped AlN nanowires turn out to be interesting for spintronic devices. © 2014 the Partner Organisations.Citation
Kanoun, M. B., Goumri-Said, S., & Schwingenschlögl, U. (2014). Ferromagnetism in Cr-doped passivated AlN nanowires. J. Mater. Chem. A, 2(24), 9287–9290. doi:10.1039/c4ta00593gPublisher
Royal Society of Chemistry (RSC)Journal
Journal of Materials Chemistry Aae974a485f413a2113503eed53cd6c53
10.1039/c4ta00593g