Complete set of elastic constants ofα-quartz at high pressure: A first-principles study

We calculated all the independent elastic constants of $\ensuremath{\alpha}$-quartz under hydrostatic pressure up to $20\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ using density functional theory. The predicted pressure-dependent elastic behavior differs significantly from a recent Brillouin spectroscopy measurement [E. Gregoryanz et al., Phys. Rev. Lett. 84, 3117 (2000)], but is consistent with x-ray data in the literature.