Electronic structure and magnetism of cubic Ga1−xEuxN and Al1−xEuxN using the LSDA + U approach
作者： Z. Dridi , A. Lazreg , H. Rozale , B. Bouhafs
DOI: 10.1016/J.COMMATSCI.2010.03.025
关键词:
摘要: Abstract First-principles calculations of the electronic structure and magnetic interaction substitutional europium rare-earth impurity in cubic GaN AlN have been performed using density-functional theory within LSDA + U approach (local spin-density approximation with Hubbard-U corrections). The method is applied to 4ƒ states. Ga1−xEuxN Al1−xEuxN are shown be semiconductors, where filled ƒ states located valence bands empty ones conduction bands. Magnetic ion host at band edges has investigated found relatively weak comparison Mn impurities. Further, also shift downwards upwards bands, respectively, increasing U potentials.
elsevier.com
sci-hub.se 参考文章(45)
Thomas C. Schulthess, Walter M. Temmerman, Zdzislawa Szotek, William H. Butler, G. Malcolm Stocks, Electronic structure and exchange coupling of Mn impurities in III–V semiconductors Nature Materials. ,vol. 4, pp. 838- 844 ,(2005) , 10.1038/NMAT1509
Vladimir I. Anisimov, Jan Zaanen, Ole K. Andersen, Band theory and Mott insulators: Hubbard U instead of Stoner I. Physical Review B. ,vol. 44, pp. 943- 954 ,(1991) , 10.1103/PHYSREVB.44.943
A. Ishizumi, J. Sawahata, K. Akimoto, Y. Kanemitsu, Site-dependent Eu3+ luminescence in GaN:Eu3+ epitaxial films studied by microscopic photoluminescence spectroscopy Materials Science and Engineering B-advanced Functional Solid-state Materials. ,vol. 146, pp. 186- 188 ,(2008) , 10.1016/J.MSEB.2007.07.075
Simone Sanna, W. G. Schmidt, Th. Frauenheim, U. Gerstmann, Rare-earth defect pairs in GaN: LDA+U calculations Physical Review B. ,vol. 80, pp. 104120- ,(2009) , 10.1103/PHYSREVB.80.104120
U Hömmerich, Ei Ei Nyein, D.S Lee, J Heikenfeld, A.J Steckl, J.M Zavada, Photoluminescence studies of rare earth (Er, Eu, Tm) in situ doped GaN Materials Science and Engineering: B. ,vol. 105, pp. 91- 96 ,(2003) , 10.1016/J.MSEB.2003.08.022
Shinji Yudate, Ryo Sasaki, Takashi Kataoka, Sho Shirakata, Growth condition dependence of photoluminescence of Eu-doped GaN films prepared by radio frequency magnetron sputtering Optical Materials. ,vol. 28, pp. 742- 745 ,(2006) , 10.1016/J.OPTMAT.2005.09.013
Simone Sanna, Th. Frauenheim, U. Gerstmann, Validity of the Slater-Janak transition-state model within theLDA+Uapproach Physical Review B. ,vol. 78, pp. 085201- ,(2008) , 10.1103/PHYSREVB.78.085201
K. Gurumurugan, Hong Chen, G. R. Harp, W. M. Jadwisienczak, H. J. Lozykowski, Visible cathodoluminescence of Er-doped amorphous AlN thin films Applied Physics Letters. ,vol. 74, pp. 3008- 3010 ,(1999) , 10.1063/1.123995
Junji Sawahata, Jongwon Seo, Shaoqiang Chen, Mikio Takiguchi, Daisuke Saito, Shinya Nemoto, Katsuhiro Akimoto, Photoluminescence spectra of Eu-doped GaN with various Eu concentrations Applied Physics Letters. ,vol. 89, pp. 192104- ,(2006) , 10.1063/1.2385214
J. Hite, G. T. Thaler, R. Khanna, C. R. Abernathy, S. J. Pearton, J. H. Park, A. J. Steckl, J. M. Zavada, Optical and magnetic properties of Eu-doped GaN Applied Physics Letters. ,vol. 89, pp. 132119- ,(2006) , 10.1063/1.2358293