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 | |
| Publication status | Published - 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
Cite this
Phase stability and broken-symmetry transition of elemental lithium up to 140 GPa. / Rousseau, Roger; Uehara, Kentaro; Klug, Dennis D.; Tse, John S.
In: ChemPhysChem, Vol. 6, No. 9, 05.09.2005, p. 1703-1706.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Phase stability and broken-symmetry transition of elemental lithium up to 140 GPa
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 - http://www.scopus.com/inward/record.url?scp=24944584413&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=24944584413&partnerID=8YFLogxK
U2 - 10.1002/cphc.200500117
DO - 10.1002/cphc.200500117
M3 - Article
C2 - 16088972
AN - SCOPUS:24944584413
VL - 6
SP - 1703
EP - 1706
JO - ChemPhysChem
JF - ChemPhysChem
SN - 1439-4235
IS - 9
ER -