小尺寸锂硅团簇Si<italic><sub>n</sub></italic>Li (<italic>n</italic>=1~10)的理论研究

小尺寸锂硅团簇Si_nLi (n=1~10)的理论研究

王志强, 雷雪玲, 吴木生, 刘刚, 徐波, 欧阳楚英

Theoretical Studies on the Small Sized Lithium-silicon Clusters Si_nLi (n=1-10)

WANG Zhi-Qiang, LEI Xue-Ling, WU Mu-Sheng, LIU Gang, XU Bo, OUYANG Chu-Ying

图1 Si n n =2~10 和Si n Li m n =2~10, m =0, 1, -1的优化后的结构
Fig.1 The ground state structures of Si n n =2-11 and Si n Li m n =2-10, m =0, +1, -1 clusters The big gray and small purples balls denote Si and Li atoms, respectively