2008 CASTEP发表文章汇总

187. Zeng Zhao-Yi, Liu Zhong-Li, Chen Xiang-Rong, Cai Ling-Cang and Jing Fu-Qian, Structures and Equation of State of ε-Fe

under High Pressure, Chinese Phys. Lett. 25 (2008) 1757–1760 ( abstract)

188. Yang Xiao-Cui et al., Theoretical Prediction for Structural Stabilities and Optical Properties of SrS, SrSe and SrTe under

High Pressure, Chinese Phys. Lett. 25 (2008) 1807–1810 ( abstract)

189. Cui Hong-Ling, Chen Xiang-Rong, Ji Guang-Fu and Wei Dong-Qing, Structures and Phase Transition of GaAs under

Pressure, Chinese Phys. Lett. 25 (2008) 2169–2172 ( abstract)

190. Meng Cong-Sen, Zhao Zeng-Xiu and Yuan Jian-Min, Radiative Transition Line Shape in Warm and Dense Argon Plasma: a

Two-Centre Model Study, Chinese Phys. Lett. 25 (2008) 2452–2455 ( abstract)

191. Liu Yan-Hui et al., Phase Transition and Optical Properties of Solid Oxygen under High Pressure: A Density Functional

Theory Study, Chinese Phys. Lett. 25 (2008) 2610–2613 ( abstract)

192. Chen Dong et al., First-Principles Calculations of Elastic Properties of LaNi5 Compound, Chinese Phys. Lett. 25 (2008)

2950–2953 ( abstract)

193. Gao Ting-Ge, Yi Jue-Min, Zhou Zi-Yao and Hu Xiao-Dong, First Principles Study of Aluminium Vacancy in Wurtzite

Aluminium Nitride, Chinese Phys. Lett. 25 (2008) 2989–2992 ( abstract)

194. Tang Jin-Long, Zhu Jun, Qin Wen-Feng, Xiong Jie and Li Yan-Rong, Ab initio study of oxygen-vacancy LaAlO3 (001)

surface, Chinese Physics B 17 (2008) 655–661 ( abstract )

195. Cheng Yan, Lu Lai-Yu, Jia Ou-He and Chen Xiang-Rong, Phase transition and thermodynamic properties of SrS via

first-principles calculations, Chinese Physics B 17 (2008) 1355–1359 ( abstract )

196. Zhu Jun, Yu Jing-Xin, Wang Yan-Ju, Chen Xiang-Rong and Jing Fu-Qian, First-principles calculations for elastic properties

of rutile TiO2 under pressure, Chinese Physics B 17 (2008) 2216–2221 ( abstract )

197. San Xiao-Jiao, He Zhi, Ma Yan-Ming, Cui Tian, Liu Bing-Bing and Zou Guang-Tian, Electronic structure and optical

properties of LiXH3 and XLiH3 (X = Be, B or C), Chinese Physics B 17 (2008) 2222–2228 ( abstract )

198. Xiong De-Ping, Zhou Shou-Li, Wang Qi, and Ren Xiao-Min, First-principles investigation of BAs and BxG1-xAs alloys,

Chinese Physics B 17 (2008) 3062–3066 ( abstract )

199. K.Haddadi, L.Louail, D.Maouche, Elastic Properties of Potassium Halides under Pressure,

Journal of Materials Science and Technology 24 (2008) 241–244 ( abstract )

200. V. J. Keast and M. Bosman, Applications and theoretical simulation of low-loss electron energy-loss spectra,

Materials Science and Technology 24 (2008) 651–659 ( abstract )

201. A. Bouhemadou, Structural and elastic properties under pressure effect of Hf2AlN and Hf2AlC,

High Pressure Research 28 (2008) 45–53 ( abstract )

202. G. K. P. Dathara and D. S. Mainardi, Structure and dynamics of Ti-Al-H compounds in Ti-doped NaAlH4,

Molecular Simulation 34 (2008) 201–2103 ( abstract )

203. David Guzman, Miguel Cruz and Chumin Wang, Electronic and optical properties of ordered porous germanium,

Microelectronics Journal 39 (2008) 523–525 ( abstract )

204. Junjie Wang et al., Theoretical Investigation for the Active-to-Passive Transition in the Oxidation of Silicon Carbide,

Journal of the American Ceramic Society 91 (2008) 1665–1673 ( abstract )