Ab initio study on nitrogen or carbon doped magnesium oxide

IEEE Transactions on Magnetics

Volumn 47, Issue 10, 2011, Pages 2928-2930

  Zhang, Yao Fang ^a   Liu, Hong ^a   Wu, J ^b   Zuo, Xu ^a  

^a NANKAI UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

Carbon doped magnesium oxide; nitrogen doped magnesium oxide; p electron localization

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); FERROMAGNETISM; MAGNETIC MOMENTS; OXIDE MINERALS;

AB INITIO CALCULATIONS; AB INITIO STUDY; ELECTRON LOCALIZATIONS; ENERGY DIFFERENCES; FERROMAGNETIC AND ANTI-FERROMAGNETIC; IMPURITIES IN; LOCAL MAGNETIC MOMENTS; NITROGEN-DOPED;

MAGNESIA;

EID: 80053461723     PISSN: 00189464     EISSN: None     Source Type: Journal    
DOI: 10.1109/TMAG.2011.2148170     Document Type: Article

References (12)

1. M. Venkatesan, C. B. Fitzgerald, and J. M. D. Coey, "Unexpected magnetism in a dielectric oxide," Nature, vol. 430, p. 630, 2004.
2. X. Zuo, S.-D. Yoon, A. Yang, W.-H. Duan, C. Vittoria, and V. G. Harris, "Ferromagnetism in pure wurtzite zinc oxide," J. Appl. Phys., vol. 105, p. 07C508, 2009.
3. H. Pan, J. B. Yi, L. Shen, R. Q. Wu, J. H. Yang, J. Y. Lin, Y. P. Feng, J. Ding, L. H. Van, and J. H. Yin, "Room-temperature ferromagnetism in carbon-doped ZnO," Phys. Rev. Lett., vol. 99, p. 127201, 2007.
4. J. Hu, Z. Zhang, M. Zhao, H. Qin, and M. Jiang, "Room-temperature ferromagnetism in MgO nanocrystalline powders," Appl. Phys. Lett., vol. 93, p. 192503, 2008.
5. G. Bouzerar and T. Ziman, "Model for vacancy-induced d0 ferromagnetism in oxide compounds," Phys. Rev. Lett., vol. 96, p. 207602, 2006.
6. P. Perdew, K. Burke, and M. Ernzerhof, "Generalized gradient approximation made simple," Phys. Rev. Lett., vol. 77, p. 3865, 1996.
7. G. Kress, M. Marsman, and J. Furthmüller, "VASP the GUIDE," Institut fur Materialphysik, Universitat Wien, Sensengasse 8, A-1130. Wien, Austria. [Online]. Available: http://cms.mpi.univie.ac.at/VASP/.
8. I. S. Elfimov, A. Rusydi, S. I. Csiszar, Z. Hu, H. H. Hsieh, H.-J. Lin, C. T. Chen, R. Liang, and G. A. Sawatzky, "Magnetizing oxides by substituting nitrogen for oxygen," Phys. Rev. Lett., vol. 98, p. 137202, 2007.
9. C. Persson, Y.-J. Zhao, S. Lany, and A. Zunger, "N-type doping of CuInSe2 and CuGaSe2," Phys. Rev. B, vol. 72, p. 035211, 2005.
10. A. Janotti and C. G. Van deWalle, "Native point defects in ZnO," Phys. Rev. B, vol. 76, p. 165202, 2007.
11. H.Wu, A. Stroppa, S. Sakong, S. Picozzi, M. Scheffler, and P. Kratzer, "Magnetism in C- or N-doped MgO and ZnO: A density-functional study of impurity pairs," Phys. Rev. Lett., vol. 105, p. 267203, 2010.
12. J. G. Speight, Lange's Handbook of Chemistry, 16th ed. New York: McGraw-Hill, 2005, p. 1.257.