摘要
利用遗传算法结合经验势研究了(AgI)n和AgnIn-1Cl(n=2~13)团簇的稳定结构及性质。结果表明:n=2~13,(AgI)n团簇构型由单环结构转化为四元环和六元环邻接的笼状结构,(AgI)n(n=6、8、12)结构较稳定;n=2~13,AgnIn-1Cl团簇构型由单环结构转化为四元环、六元环及八元环邻接的笼状结构,AgnIn-1Cl(n=6、8、9、12)结构较稳定。
The steady structure and property of(AgI)n and AgnIn-1Cl(n=2～13) clusters are studied in this paper by combining the genetic algorithm and empirical potential.The result shows that the(AgI)n(n=2～13) cluster structure is cage structure with four rings and six rings translated from single ring structure and(AgI)n(n=6,8,12) structure is move stable,the AgnIn-1Cl(n=2～13) cluster structure is cage structure with four rings,six rings and eight rings and AgnIn-1Cl(n=6,8,9,12)structure is move stable.
出处
《青海大学学报（自然科学版）》
2008年第6期61-65,共5页
Journal of Qinghai University(Natural Science)
