High-pressure bct to fcc structural transformation in Ga
Authors:
- 15 October 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 62 (15) , 9900-9902
Abstract
The equation of state, electronic structure, and phonon dispersions for bct Ga(III) and fcc Ga(IV) phases under high pressure have been studied by first-principle pseudopotential plane-wave calculations. We did not find sufficient dynamical and electronic signatures that may indicate a first or second thermodynamic phase transition from the bct to fcc phase.Keywords
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