Periclase
MgO
third-order Birch-Murnaghan · Original · 1997
V₀
—
Unknown basis
K₀
159.400
GPa
Isothermal
K′
4.280
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 |
Formula: MgO
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initiofirst-principles pseudopotential (LDA), static P-V calculations to 150 GPa
- Sample
- first-principles simulation (this study)
Source
- Paper
- Structure and elasticity of MgO at high pressure
- Authors
- Bijaya B. Karki; Lars Stixrude; Stewart J. Clark; M. C. Warren; Graeme J. Ackland; Jason Crain
- DOI
- 10.2138/am-1997-1-207
- Year
- 1997
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
...which differ insignificantly from the parameters obtained from a third-order fit: K0 = 159.4 GPa, K0 = 4.28, and K0 = -0.027 GPa^-1.
Additional notes
K0 double prime
-0.027 GPa^-1
K0 type note
static (athermal) calculation: adiabatic and isothermal bulk moduli are identical