Post-perovskite
MgSiO3
unknown · Original · 2004
V₀
—
Unknown basis
K₀
231
GPa
Unknown
K′
4.300
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| — | — | Unknown basis | — |
Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ ų/f.u. conversion is not applied automatically.
Composition
| Oxide | Molar |
|---|---|
| MgO | 1 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- post-perovskite (CaIrO3-type, Cmcm)
- Method
- first-principles DFT / ab initiofirst-principles density functional theory (LDA), static 0 K, planewave pseudopotential, stress-strain relations
- Sample
- first-principles (LDA) simulated single crystal / VRH aggregate
Source
- Paper
- Elasticity of post‐perovskite MgSiO3
- Authors
- Taku Tsuchiya; Jun Tsuchiya; Koichiro Umemoto; Renata M. Wentzcovitch
- DOI
- 10.1029/2004gl020278
- Year
- 2004
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Although post-perovskite's aggregate B, 231 GPa, is smaller than perovskite's, 257 GPa, at P = 0 GPa, the larger B' of post-perovskite, 4.3, compensates to produce similar bulk moduli at lower mantle pressures [Tsuchiya et al., 2004]. Table 1: Pressure 0 ... B 231 G 136 (units GPa). 'These values are expected to be overestimated because of the static 0 K nature of this LDA calculation.'
Additional notes
G0 GPa
136
B at 120GPa GPa
681
G at 120GPa GPa
344
note
Static (athermal, 0 K) LDA values; B' of 4.3 attributed to the authors' companion work Tsuchiya et al. [2004]. Full elastic constant tensor (c11-c66) reported in Table 1 at 0 and 120 GPa. No V0 reported in this paper.