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

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

doi:10.1002/cphc.200500117

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

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

Pacific Northwest National Laboratory

Research output: Contribution to journal › Article › peer-review

35 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 language	English
Pages (from-to)	1703-1706
Number of pages	4
Journal	ChemPhysChem
Volume	6
Issue number	9
DOIs	https://doi.org/10.1002/cphc.200500117
Publication status	Published - Sep 5 2005

Keywords

Broken symmetry
High-pressure chemistry hybridization
Lithium
Structure elucidation

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Physical and Theoretical Chemistry

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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.",

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AU - Rousseau, Roger

AU - Uehara, Kentaro

AU - Klug, Dennis D.

AU - Tse, John S.

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AB - (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.

KW - Broken symmetry

KW - High-pressure chemistry hybridization

KW - Lithium

KW - Structure elucidation

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

Abstract

Keywords

ASJC Scopus subject areas

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