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

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

39 Scopus citations

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
State	Published - Sep 5 2005
Externally published	Yes

Keywords

Broken symmetry
High-pressure chemistry hybridization
Lithium
Structure elucidation

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10.1002/cphc.200500117

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title = "Phase stability and broken-symmetry transition of elemental lithium up to 140 GPa",

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.",

keywords = "Broken symmetry, High-pressure chemistry hybridization, Lithium, Structure elucidation",

author = "Roger Rousseau and Kentaro Uehara and Klug, \{Dennis D.\} and Tse, \{John S.\}",

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AU - Rousseau, Roger

AU - Uehara, Kentaro

AU - Klug, Dennis D.

AU - Tse, John S.

PY - 2005/9/5

Y1 - 2005/9/5

N2 - (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.

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

UR - https://www.scopus.com/pages/publications/24944584413

U2 - 10.1002/cphc.200500117

DO - 10.1002/cphc.200500117

M3 - Article

C2 - 16088972

AN - SCOPUS:24944584413

SN - 1439-4235

VL - 6

SP - 1703

EP - 1706

JO - ChemPhysChem

JF - ChemPhysChem

IS - 9

ER -

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

Abstract

Keywords

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