The Pressure-induced Ferroelastic Phase-transition of Sio2 Stishovite
(1995) Journal of Physics: Condensed Matter — Vol. 7, n° 19, p. 3693-3698 (1995)
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- Abstract
- Using a newly developed accurate ab initio technique, we study the stability and the lattice dynamics of SiO2 polymorph stishovite as a function of pressure. We observe a ferroelastic phase transition to CaCl2 structure at 64 GPa, driven by a mechanical instability associated with a vanishing shear modulus. Other lattice instabilities due to phonon anomalies are theoretically excluded along with a proposed softening of the B1g phonon mode.
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Citations
Lee, XCY., & Gonze, X. (1995). The Pressure-induced Ferroelastic Phase-transition of Sio2 Stishovite. Journal of Physics: Condensed Matter, 7(19), 3693-3698. https://doi.org/10.1088/0953-8984/7/19/003 (Original work published 1995)