Caracas, R;
Wentzcovitch, R;
Price, GD;
Brodholt, J;
(2005)
CaSiO3 perovskite at lower mantle pressures.
Geophysical Research Letters
, 32
(6)
, Article L06306. 10.1029/2004GL022144.
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Abstract
We investigate by first-principles the structural behavior of CaSiO3 perovskite up to lower mantle pressures. We confirm that the cubic perovskite modification is unstable at all pressures. The zero Kelvin structure is stabilized by SiO6 octahedral rotations that lower the symmetry to tetragonal, orthorhombic, rhombohedral, or to a cubic supercell. The resulting structures have comparable energies and equation of state parameters. This suggests that relatively small deviatoric/ shear stresses might induce phase transformations between these various structures softening some elastic moduli, primarily the shear modulus. The seismic signature accompanying a local increase in CaSiO3 content should be a positive density anomaly and a negative V-S anomaly.
| Type: | Article |
|---|---|
| Title: | CaSiO3 perovskite at lower mantle pressures |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1029/2004GL022144 |
| Publisher version: | http://dx.doi.org/10.1029/2004GL022144 |
| Language: | English |
| Additional information: | Copyright 2005 by the American Geophysical Union |
| Keywords: | Earths lower mantle, Equation-of-state, Phase-transition, Tilted octahedra, Normal-mode, Stability, GPa, Elasticity, Constraints, Petrology |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/99227 |
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