Anharmonic thermodynamic properties and phase boundary across the postperovskite transition in MgSiO3
10.1103/physrevb.106.054103 · 2022 · Physical review. B./Physical review. B
Zhen Zhang; Renata M. Wentzcovitch
6 EOS records from this paper
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
300 K | 40.15 ų/f.u. Formula unit |
255.720 | 3.910 | third-order Birch-Murnaghan | LDA | Original | ||||||
| Bridgmanite |
|
300 K | 42.44 ų/f.u. Formula unit |
226.470 | 3.890 | third-order Birch-Murnaghan | PBE-GGA | Original | ||||||
| Bridgmanite |
|
300 K | 40.58 ų/f.u. Formula unit |
246 | 3.650 | third-order Birch-Murnaghan | — | Cited | ||||||
| Post-perovskite |
|
300 K | 40.02 ų/f.u. Formula unit |
227.430 | 4.240 | third-order Birch-Murnaghan | LDA | Original | ||||||
| Post-perovskite |
|
300 K | 42.56 ų/f.u. Formula unit |
194.910 | 4.240 | third-order Birch-Murnaghan | PBE-GGA | Original | ||||||
| Post-perovskite |
|
300 K | 40.55 ų/f.u. Formula unit |
219 | 4 | third-order Birch-Murnaghan | — | Cited |