POTENTIAL-ENERGY FUNCTIONS FOR CU, AG AND AU SOLIDS AND THEIR APPLICATION TO CLUSTERS OF THESE ELEMENTS

被引：25

作者：

FANG, JY ^{[1
]}

JOHNSTON, RL ^{[1
]}

MURRELL, JN ^{[1
]}

机构：

[1] JILIN UNIV, INST THEORET CHEM, CHANGCHUN 130023, PEOPLES R CHINA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 11期

关键词：

D O I：

10.1039/ft9938901659

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：

Empirical potential functions comprising two- and three-body terms have been derived for Cu, Ag and Au by fitting parameters to the phonon frequencies, elastic constants, bulk cohesive energies, vacancy formation energies and lattice distances of the f.c.c. solids. The potentials predict compact structures for small clusters of the elements with more metastable structures for Ag than for Cu and Au.

引用

页码：1659 / 1665

页数：7

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