2008 CASTEP发表文章汇总.docVIP

CASTEP发表文章汇总－2008年（部分） Gonzalo Otero et al., Fullerenes from aromatic precursors by surface-catalysed cyclodehydrogenation, Nature 454 (2008) 865–868 ( abstract ) Andrew L. Goodwin et al., Colossal Positive and Negative Thermal Expansion in the Framework Material Ag3[Co(CN)6], Science 319 (2008) 794–797 ( abstract ) Qifeng Zeng et al.,A new phase of solid iodine with different molecular covalent bonds, Proc. Nat. Acad. Sci. USA 105 (2008) 4999–5001 ( abstract ) Kideok D. Kwon, Keith Refson and Garrison Sposito, Defect-Induced Photoconductivity in Layered Manganese Oxides: A Density Functional Theory Study, Physical Review Letters 100 (2008) 146601 ( abstract ) Bjoern Winkler et al.,Dispersion Relation of an OH-Stretching Vibration from Inelastic X-Ray Scattering, Physical Review Letters 101 (2008) 065501 ( abstract ) Qing-Qing Sun et al., Atomic scale study of the degradation mechanism of boron contaminated hafnium oxide, Applied Physics Letters 92 (2008) 052907 ( abstract ) Changzeng Fan et al., Bulk moduli of wurtzite, zinc-blende, and rocksalt phases of ZnO from chemical bond method and density functional theory, Applied Physics Letters 92 (2008) 101917 ( abstract ) Qing-Qing Sun et al., Impact of germanium related defects on electrical performance of hafnium oxide, Applied Physics Letters 92 (2008) 102908 ( abstract ) Ka Xiong et al.,Te-induced modulation of the Mo/HfO2 interface effective work function, Applied Physics Letters 92 (2008) 113504 ( abstract ) A. Chroneos, H. Bracht, R. W. Grimes, and B. P. Uberuaga, Vacancy-mediated dopant diffusion activation enthalpies for germanium, Applied Physics Letters 92 (2008) 172103 ( abstract ) Huiyang Gou, Li Hou, Jingwu Zhang, and Faming Gao, Pressure-induced incompressibility of ReC and effect of metallic bonding on its hardness, Applied Physics Letters 92 (2008) 241901 ( abstract ) D. X. Li and J. Y. Feng, Computational design of silicon-based direct-band gap nanostructure: Silicon nanonet, Applied Phy