Amorphous structures of Cu, Ag, and Au nanoclusters from first principles calculations

被引:124
作者
Oviedo, J [1 ]
Palmer, RE [1 ]
机构
[1] Univ Birmingham, Sch Phys & Astron, Nanoscale Phys Res Lab, Birmingham B15 2TT, W Midlands, England
关键词
D O I
10.1063/1.1524154
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have carried out first-principles density functional calculations for clusters of the coinage metals containing thirteen atoms (M-13, where M=Cu, Ag, or Au). We find that for this geometric "magic number" the low energy isomers are actually disordered, forming almost a continuous distribution as a function of energy. (C) 2002 American Institute of Physics.
引用
收藏
页码:9548 / 9551
页数:4
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