Structure, electronic properties, and defects of amorphous gallium arsenide

E. Fois, Annabella Selloni, G. Pastore, Q. M. Zhang, Roberto Car

Research output: Contribution to journalArticle

41 Scopus citations

Abstract

We have constructed a structural model of amorphous gallium arsenide by quenching from the melt, via first-principles molecular-dynamics simulations. The properties of our structure agree well with the available experimental information. We find that the predominant defects in this system are not wrong bonds, but threefold-coordinated atoms. Because of a relaxation mechanism similar to that occurring on the GaAs(110) surface, these do not yield states in the gap, but yield empty Ga and filled As dangling-bond states near the band edges.

Original languageEnglish (US)
Pages (from-to)13378-13382
Number of pages5
JournalPhysical Review B
Volume45
Issue number23
DOIs
StatePublished - Jan 1 1992

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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