Origin of Network Connectivity and Structural Units in Amorphous [Formula presented]

Massimo Celino, Carlo Massobrio

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

We elucidate the structural properties of amorphous [Formula presented] by first-principles molecular dynamics. The calculated structure factor is in very good agreement with experiments, as well as the number of corner- and edge-sharing tetrahedra. By focusing on the sequences of Si atoms linked via intra- and intertetrahedral bonds, we identify the predominant structural motifs. The sequences involving both corner- and edge-sharing connections are significantly more frequent than those formed exclusively by edge-shared Si atoms. Our results clarify a longstanding controversy on the structure of this prototypical disordered network-forming material. © 2003 The American Physical Society.
Original languageEnglish
Pages (from-to)4 -
JournalPhysical Review Letters
Volume90
Issue number12
DOIs
Publication statusPublished - 2003

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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