Vibrational analysis of Ni-n clusters

被引:35
作者
PosadaAmarillas, A [1 ]
Garzon, IL [1 ]
机构
[1] UNIV SONORA,CTR INVEST FIS,HERMOSILLO 83000,SONORA,MEXICO
来源
PHYSICAL REVIEW B | 1996年 / 54卷 / 15期
关键词
D O I
10.1103/PhysRevB.54.10362
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The vibrational normal frequencies of Ni-n, n = 2-14, 19, 20, and 55, clusters in their most stable structure are classified using group theory and calculated by direct diagonalization of the dynamical matrix. A Gupta n-body model potential was used to evaluate the second derivatives of the total energy with respect to the cluster atomic coordinates. The symmetry of the lowest-energy structures generate vibrational spectra with strong (n = 13, and 55), medium (n = 4 and 6), weak (n = 3, 5, 7, 8, 10, 12, 14, 19, and 20), and null (n = 9 and Il) degeneracies. Calculated frequencies for all duster sizes are lower than the dimer characteristic frequency. The width of the modes distribution and the maximum frequency are independent of the cluster size for 2 < n less than or equal to 55.
引用
收藏
页码:10362 / 10365
页数:4
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