Model interaction potentials for selenium from ab initio molecular simulations

John C. Mauro, Arun K. Varshneya

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

We develop model interaction potentials for elemental selenium based on ab initio molecular simulations and cluster expansion theory. Our potentials are used in classical Monte Carlo simulations to characterize the structure of selenium glass.

Original languageEnglish (US)
Article number214105
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume71
Issue number21
DOIs
StatePublished - Jun 1 2005

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Fingerprint

Dive into the research topics of 'Model interaction potentials for selenium from ab initio molecular simulations'. Together they form a unique fingerprint.

Cite this