Phase stability and broken-symmetry transition of elemental lithium up to 140 GPa

Roger Rousseau, Kentaro Uehara, Dennis D. Klug, John S. Tse

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

(Figure Presented) High-pressure structures of lithium are investigated using first-principles calculations. Phonon-dispersion studies show that a proposed broken-symmetry phase is stable at high pressures and simulated-annealing studies allow the identification of a new metallic structure. The figure shows the structure of solid lithium in the Cmca-24 phase.

Original languageEnglish
Pages (from-to)1703-1706
Number of pages4
JournalChemPhysChem
Volume6
Issue number9
DOIs
Publication statusPublished - Sep 5 2005

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Keywords

  • Broken symmetry
  • High-pressure chemistry hybridization
  • Lithium
  • Structure elucidation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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