Volume 1, Issue 2
Ab initio pseudopotential study of cluster growth of coinage metal telluride clusters AunTem

Q.-M. Surong ,  H. J. Yan ,  F.-M. Liu and Y. F. Zhao

10.4208/jams.110209.112709a

J. At. Mol. Sci., 1 (2010), pp. 152-161.

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  • Abstract

The geometries of the lowest-lying isomers of small Au$_n$Te$_m$ (\textit{n}, \textit{m}=1, 2) clusters are determined through the MP2 method. The aspect of gold-telluride interaction, the electron correlation and relativistic effects on geometry, and cluster growth are investigated at the MP2 and CCSD(T) theoretical levels. The results show that the gold-telluride interaction is strong enough to modify the known pattern of bare gold clusters. The electron correlation and relativistic effects are responsible not only for gold-gold attraction but also for additional gold-telluride interaction. Both electron correlation and relativistic effects are essential for determining the geometry and cluster growth of coinage metal telluride compound clusters Au$_n$Te$_m$.

  • History

Published online: 2010-05

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