文献类型：期刊文献

英文题名：Comparative study on the structure and properties of small Cn and NaCn clusters

作者：Liang, X.[1]; Luo, Y.-H.[1]; Feng, X.-J.[1]; Cao, T.T.[1]; Zhao, L.X.[1]

机构：[1] Department of Physics, East China University of Science and Technology, Shanghai 200237, China

年份：2008

卷号：46

期号：1

起止页码：93

外文期刊名：European Physical Journal D

收录：EI(收录号：20214611167967)

语种：英文

外文关键词：Electronic properties - Sodium compounds - Binding energy - Density functional theory

摘要：The structures, binding energies, and electronic properties of C n and NaCn (n=2-12) clusters have been systematically investigated using density functional theory (DFT). A number of previously undiscovered isomers of NaCn clusters are reported, including fan-like, linear and three-dimensional structures. Moreover, NaCn clusters with even n are found to be more stable than those with odd n, in contrast with the case of Cn clusters. ? 2007 EDP Sciences/Società Italiana di Fisica/Springer-Verlag.