2008 CASTEP发表文章汇总

119. Alexander Chroneos, Stability of impurity-vacancy pairs in germanium carbide,

Journal of Materials Science: Materials in Electronics 19 (2008) 25–28 ( abstract )

120. Jin-Long Tang, Jun Zhu, Wen-Feng Qin, Jie Xiong and Yan-Rong Li, Structure and dielectric characteristics of epitaxially

strained BaTiO3 thin films, Journal of Materials Science: Materials in Electronics 19 (2008) 466–470 ( abstract )

121. Rong An, Chunqing Wang, Yanhong Tian and Huaping Wu, Determination of the Elastic Properties of Cu3Sn Through

First-Principles Calculations, Journal of Electronic Materials 37 (2008) 477–482 ( abstract )

122. Rong An, Chunqing Wang and Yanhong Tian, Determination of the Elastic Properties of Au5Sn and AuSn from Ab Initio

Calculations, Journal of Electronic Materials 37 (2008) 968–974 ( abstract )

123. Yanqing Shen and Zhongxiang Zhou, The effects of the doped Cu on the physical properties of KNbO3 crystal,

Chemical Physics Letters 454 (2008) 114–117 ( abstract )

124. B. Xiao et al., First principles study on the electronic structures and stability of Cr7C3 type multi-component carbides,

Chemical Physics Letters 459 (2008) 129–132 ( abstract )

125. Mingce Long, Weimin Caa and Horst Kisch, Photoelectrochemical properties of nanocrystalline Aurivillius phase Bi2MoO6

film under visible light irradiation , Chemical Physics Letters 461 (2008) 102–105 ( abstract )

126. F D Jiang and J Y Feng, Electronic modification of Cu-based chalcopyrite semiconductors induced by lattice deformation

and composition alchemy, Semiconductor Science and Technology 23 (2008) 0250012 ( abstract )

127. Jingyang Wang, Yanchun Zhou, Ting Liao, Jie Zhang and Zhijun Lin, A first-principles investigation of the phase stability

of Ti2AlC with Al vacancies, Scripta Materialia 58 (2008) 227–230 ( abstract )

128. Jingyang Wang, Jiemin Wang, Yanchun Zhou, Zhijun Lin and Chunfeng Hu, Ab initio study of polymorphism in layered

ternary carbide M4AlC3 (M = V, Nb and Ta), Scripta Materialia 58 (2008) 1043–1046 ( abstract )

129. Cuikun Lin et al., Bluish-White Emission from Radical Carbonyl Impurities in Amorphous Al2O3 Prepared via the

Pechini-Type Sol-Gel Process, Inorganic Chemistry 47 (2008) 49–55 ( abstract )

130. Hongping Xiang and Zhijian Wu, Ab Initio Study on the Electronic, Magnetic, and Mechanical Properties of CaCu3V4O12,

Inorganic Chemistry 47 (2008) 2706–2709 ( abstract )

131. Hai-Long Jiang, Fang Kong, Yang Fan, and Jiang-Gao Mao, ZnVSe2O7 and Cd6V2Se5O21: New d10 Transition-Metal

Selenites with V(IV) or V(V) Cations, Inorganic Chemistry 47 (2008) 7430–7437 ( abstract )

132. Hidenori Hiramatsu et al., Crystal Structures, Optoelectronic Properties, and Electronic Structures of Layered

Oxychalcogenides MCuOCh (M = Bi, La; Ch = S, Se, Te): Effects of Electronic Configurations of M3+ Ions,

Chemistry of Materials 20 (2008) 326–334 ( abstract )

133. C. J. Duan et al., Preparation, Electronic Structure, and Photoluminescence Properties of Eu2+ - and Ce3+/Li+ -Activated

Alkaline Earth Silicon Nitride MSiN2 (M = Sr, Ba), Chemistry of Materials 20 (2008) 1597–1605 ( abstract )

134. Luis Mafra et al., Characterization of Layered γ-Titanium Phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2.H2O Intercalate: A

Combined NMR, Synchrotron XRD, and DFT Calculations Study, Chemistry of Materials 20 (2008) 3944–3953 ( abstract ) 135. K. Tse and J. Robertson, Work function control at metal high-dielectric-constant gate oxide interfaces,

Microelectronic Engineering 85 (2008) 9–14 ( abstract )