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Energy barriers and structural transitions of small Al clusters

  • T. Halicioglu
Conference paper

Abstract

Energy barriers between low-lying configurational states were calculated for several small Al clusters. Calculations were carried out considering a model potential comprising two- and three-body interactions. Parameters used in this potential energy function were evaluated from fits to high level ab initio calculations for Al clusters. Energy barriers separating low-lying configurations were found to be in varying heights. Results indicate that isomeric transformations between several low-lying high-symmetry forms of small Al clusters are quite likely and may take place at relatively low temperatures.

PACS

36.40 31.20 

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Copyright information

© Springer-Verlag 1989

Authors and Affiliations

  • T. Halicioglu
    • 1
  1. 1.Department of Materials Science and EngineeringStanford UniversityStanfordUSA

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