| （BN）n及SiB（n-1）Nn（n=2-11）稳定结构的研究 |
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| 引用本文： | 田春山,李向富,郑曙东.（BN）n及SiB（n-1）Nn（n=2-11）稳定结构的研究[J].青海大学学报,2008,26(4):20-24. |
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| 作者姓名： | 田春山 李向富 郑曙东 |
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| 作者单位： | [1]西北师范大学物理与电子工程学院,甘肃兰州730070 [2]青海大学基础部,青海西宁810016 |
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| 摘 要： | 利用遗传算法及Gastreich提出的经验势函数,研究了（BN）n（n=2-11）和SiBn-1Nn（n=2-11）团簇的可能稳定结构,对能量较低的异构体在HF/STO-3G水平进行优化,得到了（BN）n（n=2-11）和SiBn-1Nn（n=2-11）团簇稳定结构单环及线状结构,并进一步分析了单环的结构特征及相对稳定性。
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| 关 键 词： | (BN)n团簇 SiBn-1Nn团簇 遗传算法 结构 |
Study on the stable structure of (BN)n and SiBn-1Nn(n=2～11)clusters |
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| TIAN Chun-shan,LI Xiang-fu,ZHENG Shu-dong.Study on the stable structure of (BN)n and SiBn-1Nn(n=2～11)clusters[J].Journal of Qinghai University(Natural Science),2008,26(4):20-24. |
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| Authors: | TIAN Chun-shan LI Xiang-fu ZHENG Shu-dong |
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| Institution: | TIAN Chun - shan, LI Xiang - fu, ZHENG Shu - dong ( 1. College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, China; 2. Department of Basic Research, Qinghai University, Xining 810016, China) |
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| Abstract: | The stable structure of （ BN）. （ n = 2 - 11 ） and SiBn-1N. （ n = 2 - 11 ） clusters is studied in this paper using a genetic algorithm and the empirical potential function provided by gastreich and the single loop and linear structures of （ BN）. （ n = 2 - 11 ） and SiBn- 1N. （ n = 2 - 11 ） cluster stable structure are obtained through the optimization of a low energy isomeric soma under the HF/STO - 3G level. The structure character and relative stability of the single loop are further analyzed at last. |
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| Keywords: | （ BN） cluster SiBn-1 Nn cluster genetic algorithm structure |
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