Bridgmanite
MgSiO3
unknown · Cited · 1993
Why this differs from similar rows?
Cites a different ab initio study, a full-potential LAPW calculation by Cohen et al. [28], distinct from the two experimental citations in sibling rows.
V₀
—
Unknown basis
K₀
279
GPa
Unknown
K′
3.400
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
- cubic perovskite (Pm-3m)
- Method
- first-principles DFT / ab initioab initio full-potential linear augmented-plane-wave (LAPW) calculation
- Sample
- ab initio full-potential LAPW study (Cohen et al., ref [28])
Source
- Paper
- Ab initiomolecular dynamics with variable cell shape: Application toMgSiO3
- Authors
- Renata M. Wentzcovitch; José Luı́s Martins; G. D. Price
- DOI
- 10.1103/physrevlett.70.3947
- Year
- 1993
- Journal
- Physical Review Letters
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
The Pm3m phase's bulk modulus differs slightly from that estimated by an ab initio full-potential linear augmented-plane-wave study [28] (K0 = 279 GPa and K'0 = 3.4).
Additional notes
cited reference
R. E. Cohen et al., in Perovskite a Structure of Great Interest for Geophysics and Material Science (Ref. [17])