2012-CASTEP文章汇总.doc

CASTEP Scientific References - 2012 Jian Sun, Miguel Martinez-Canales, Dennis D. Klug, Chris J. Pickard, and Richard J. Needs, Persistence and Eventual Demise of Oxygen Molecules at Terapascal Pressures, Physical Review Letters 108 (2012) 045503 ( abstract ) Miguel Martinez-Canales, Chris J. Pickard, Richard J. Needs, Thermodynamically Stable Phases of Carbon at Multiterapascal Pressures, Physical Review Letters 108 (2012) 045704 ( abstract ) A. Chroneos and A. Dimoulas, Defect configurations of high-k cations in germanium, Journal of Applied Physics 111 (2012) 023714 ( abstract ) Roland Gillen and John Robertson, Hybrid functional calculations of the Al impurity in α quartz: Hole localization and electron paramagnetic resonance parameters, Physical Review B 85 (2012) 014117 ( abstract ) A. Bhattacharya, S. Bhattacharya, and G. P. Das, Band gap engineering by functionalization of BN sheet, Physical Review B 85 (2012) 035415 ( abstract ) L. Fishwick, M. Walker, M. K. Bradley, D. P. Woodruff, and C. F. McConville, Surface structure of GaP(110): Ion scattering and density functional theory study, Physical Review B 85 (2012) 045322 ( abstract ) Takatsugu Endo, Scarlett Widgeon, Ping Yu, Sabyasachi Sen, and Keiko Nishikawa, Cation and anion dynamics in supercooled and glassy states of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate: Results from 13C, 31P, and 19F NMR spectroscopy, Physical Review B 85 (2012) 054307 ( abstract ) James D. Aldous et al., Cubic MnSb: Epitaxial growth of a predicted room temperature half-metal, Physical Review B 85 (2012) 060403 ( abstract ) N. D. Drummond, V. Zolyomi, and V. I. Falko, Electrically tunable band gap in silicene, Physical Review B 85 (2012) 075423 ( abstract ) Philip W. Avraam, Nicholas D. M. Hine, Paul Tangney, and Peter D. Haynes, Fermi-level pinning can determine polarity in semiconductor nanorods, Physical Review B 85 (2012) 115404 ( abstract ) Naoki Imamura, Hiroshi Mizoguchi