Cluster expansion technique:: An efficient tool to search for ground-state configurations of adatoms on plane surfaces -: art. no. 035418

被引：29

作者：

Drautz, R ^{[1
]}

Singer, R ^{[1
]}

Fähnle, M ^{[1
]}

机构：

[1] Max Planck Inst Met Res, D-70569 Stuttgart, Germany

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.67.035418

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The cluster expansion technique is applied to describe the energetics of adatom configurations on plane substrate surfaces at submonolayer coverage and to find the stable configuration in thermodynamic equilibrium. The power of the method is demonstrated for the case of Li adatoms on Mo(112).

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