Structural stability and phase transitions in K8Si46 clathrate under high pressure

John S. Tse, Serge Desgreniers, Zhi Qiang Li, Michael R. Ferguson, Yoshiyuki Kawazoe

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76 Citations (Scopus)

Abstract

A novel phase transition in K8Si46 at high pressures triggered by an anomalous phonon instability of the encaged K atoms was characterized. It was demonstrated that the inclusion of large atoms in the empty cavities helps to enhance the structural stability of the Si framework. Such an observation may have important implications in the design of new semiconductor materials with increased hardness.

Original languageEnglish
Article number195507
Pages (from-to)195507/1-195507/4
JournalPhysical review letters
Volume89
Issue number19
DOIs
Publication statusPublished - 2002 Nov 4

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    Tse, J. S., Desgreniers, S., Li, Z. Q., Ferguson, M. R., & Kawazoe, Y. (2002). Structural stability and phase transitions in K8Si46 clathrate under high pressure. Physical review letters, 89(19), 195507/1-195507/4. [195507]. https://doi.org/10.1103/PhysRevLett.89.195507