Mapping the potential energy landscapes of selenium clusters

John C. Mauro, Roger J. Loucks, Jitendra Balakrishnan, Arun K. Varshneya

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

We describe the potential energy landscapes of Se3-Se8 clusters using disconnectivity graphs. Inherent structures include both chain and ring configurations, with rings dominating in the larger clusters. Transition points are located using an eigenvector-following technique, which is of general applicability in mapping multi-dimensional energy landscapes.

Original languageEnglish (US)
Pages (from-to)1268-1273
Number of pages6
JournalJournal of Non-Crystalline Solids
Volume353
Issue number13-15 SPEC. ISS.
DOIs
StatePublished - May 15 2007

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

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