2008 CASTEP发表文章汇总

CASTEP发表文章汇总－2008年（部分）

1. Gonzalo Otero et al., Fullerenes from aromatic precursors by surface-catalysed cyclodehydrogenation, Nature 454 (2008)

865–868 ( abstract )

2. 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 )

3. 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 )

4. 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 )

5. Bjoern Winkler et al.,Dispersion Relation of an OH-Stretching Vibration from Inelastic X-Ray Scattering, Physical Review

Letters 101 (2008) 065501 ( abstract )

6. Qing-Qing Sun et al., Atomic scale study of the degradation mechanism of boron contaminated hafnium oxide, Applied

Physics Letters 92 (2008) 052907 ( abstract )

7. 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 )

8. Qing-Qing Sun et al., Impact of germanium related defects on electrical performance of hafnium oxide, Applied Physics

Letters 92 (2008) 102908 ( abstract )

9. Ka Xiong et al.,Te-induced modulation of the Mo/HfO2 interface effective work function, Applied Physics Letters 92 (2008)

113504 ( abstract )

10. 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 )

11. 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 )

12. D. X. Li and J. Y. Feng, Computational design of silicon-based direct-band gap nanostructure: Silicon nanonet, Applied

Physics Letters 92 (2008) 243117 ( abstract )

13. Minoru Osada et al., Gigantic magneto-optical effects induced by (Fe/Co)-cosubstitution in titania nanosheets, Applied

Physics Letters 92 (2008) 253110 ( abstract )

14. Bin Wen and Roderick V. N. Melnik, First principles molecular dynamics study of CdS nanostructure

temperature-dependent phase stability,

Applied Physics Letters 92 (2008) 261911 ( abstract )

15. Payam Kaghazchi, Timo Jacob, Ivan Ermanoski, Wenhua Chen, and Theodore E. Madey, First-Principles Studies on

Oxygen-Induced Faceting of Ir(210),

ACS Nano 2 (2008) 1280–1288 ( abstract )