(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.
- Broken symmetry
- High-pressure chemistry hybridization
- Structure elucidation
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Physical and Theoretical Chemistry