2008 CASTEP发表文章汇总(2)

2008 CASTEP发表文章汇总

16. Youngmi Cho et al., Electronic Structure Tailoring and Selective Adsorption Mechanism of Metal-coated Nanotubes, Nano

Letters 8 (2008) 81–86 ( abstract )

17. Patrick Huang and Emily A. Carter, Ab Initio Explanation of Tunneling Line Shapes for the Kondo Impurity State, Nano

Letters 8 (2008) 1265–1269 ( abstract )

18. Y. C. Cheng et al., Optical properties of rocksalt and zinc blende AlN phases: First-principles calculations, Journal of

Applied Physics 103 (2008) 073707 ( abstract )

19. Chun-Hai Wang et al., Far infrared reflection spectrum and IR-active modes of MgTiO3, Journal of Applied Physics 103

(2008) 074105 ( abstract )

20. Yanqing Shen and Zhongxiang Zhou, Structural, electronic, and optical properties of ferroelectric KTa1/2Nb1/2O3 solid

solutions,

Journal of Applied Physics 103 (2008) 074113 ( abstract )

21. A. H. Li et al., Reduction of superconducting transition temperature and flux pinning in Al and C codoped MgB2 with

insight from first-principles calculations, Journal of Applied Physics 103 (2008) 07C713 ( abstract )

22. Lei Bai, Z. S. Lin, Z. Z. Wang, and C. T. Chen, Mechanism of linear and nonlinear optical effects of chalcopyrites LiGaX2

(X=S, Se, and Te) crystals,

Journal of Applied Physics 103 (2008) 083111 ( abstract )

23. Xinyu Zhang et al., Potential superhard cubic spinel CSi2N4: First-principles investigations, Journal of Applied Physics 103

(2008) 083533 ( abstract )

24. H. Z. Luo et al., Half-metallic properties for the Mn2FeZ (Z=Al, Ga, Si, Ge, Sb) Heusler alloys: A first-principles study,

Journal of Applied Physics 103 (2008) 083908 ( abstract )

25. Qing-Qing Sun et al., Effect of chlorine residue on electrical performance of atomic layer deposited hafnium silicate,

Journal of Applied Physics 103 (2008) 114102 ( abstract )

26. L. Z. Ouyang, F. X. Qin, M. Zhu, C. K. Huang, and J. Guo, The effect of La addition on optical transmittance spectra of

hydrogenated Mg-La thin films, Journal of Applied Physics 104 (2008) 016110 ( abstract )

27. M. Wen et al., Effects of substrate bias on the preferred orientation, phase transition and mechanical properties for NbN

films grown by direct current reactive magnetron sputtering, Journal of Applied Physics 104 (2008) 023527 ( abstract )

28. Chun-Hai Wang, Xi-Ping Jing, Wei Feng, and Jing Lu, Assignment of Raman-active vibrational modes of MgTiO3, Journal

of Applied Physics 104 (2008) 034112 ( abstract )

29. Zhenghui Liu, Zhaohui Zhang, and Xing Zhu, Atomic structures of boron-induced protrusion features on Si(100) surfaces,

Physical Review B 77 (2008) 035322 ( abstract )

30. P. L. de Andres, R. Ramirez, and J. A. Verges, Strong covalent bonding between two graphene layers, Physical Review B 77

(2008) 045403 ( abstract )

31. D. J. Wilson, A. A. Sokol, S. A. French, and C. R. A. Catlow, Defect structures in the silver halides, Physical Review B 77

(2008) 064115 ( abstract )

32. K. Radican, N. Berdunov, and I. V. Shvets, Studies of the periodic faceting of epitaxial molybdenum oxide grown on

Mo(110), Physical Review B 77 (2008) 085417 ( abstract )