Thermodynamic properties of (Mg,Fe2+)SiO3 perovskite at the lower-mantle pressures and temperatures: an internally consistent LSDA+Ustudy
10.1111/j.1365-246x.2012.05511.x · 2012 · Geophysical Journal International
A. Metsue; Taku Tsuchiya
11 EOS records from this paper
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
— | 24.3325 cm³/mol Molar |
259.341 | 3.940 | third-order Birch-Murnaghan | high-spin (HS) | Original | ||||||||||
| Why this differs from similar rows: Table 1(a) Model 1, high-spin Fe with a 2x2x1 supercell (Fe-Fe distance 6.8794 A); sibling rows use different Fe-Fe distances/supercells (Models 2, 3) or the low-spin state. | ||||||||||||||||||
| Bridgmanite |
|
— | 24.3326 cm³/mol Molar |
259.292 | 3.940 | third-order Birch-Murnaghan | high-spin (HS) | Original | ||||||||||
| Why this differs from similar rows: Table 1(a) Model 2, high-spin Fe with a 2x1x2 supercell (Fe-Fe distance 4.9246 A); sibling rows use different Fe-Fe distances/supercells (Models 1, 3) or the low-spin state. | ||||||||||||||||||
| Bridgmanite |
|
— | 24.3317 cm³/mol Molar |
259.461 | 3.940 | third-order Birch-Murnaghan | high-spin (HS) | Original | ||||||||||
| Why this differs from similar rows: Table 1(a) Model 3, high-spin Fe with a 1x2x2 supercell (Fe-Fe distance 4.7723 A); sibling rows use different Fe-Fe distances/supercells (Models 1, 2) or the low-spin state. | ||||||||||||||||||
| Bridgmanite |
|
— | 24.2583 cm³/mol Molar |
260.799 | 3.940 | third-order Birch-Murnaghan | low-spin (LS) | Original | ||||||||||
| Why this differs from similar rows: Table 1(b) Model 1, low-spin Fe with a 2x2x1 supercell (Fe-Fe distance 6.8752 A); sibling rows use different Fe-Fe distances/supercells (Models 2, 3) or the high-spin state. | ||||||||||||||||||
| Bridgmanite |
|
— | 24.2605 cm³/mol Molar |
260.798 | 3.940 | third-order Birch-Murnaghan | low-spin (LS) | Original | ||||||||||
| Why this differs from similar rows: Table 1(b) Model 2, low-spin Fe with a 2x1x2 supercell (Fe-Fe distance 4.9197 A); sibling rows use different Fe-Fe distances/supercells (Models 1, 3) or the high-spin state. | ||||||||||||||||||
| Bridgmanite |
|
— | 24.2596 cm³/mol Molar |
260.744 | 3.940 | third-order Birch-Murnaghan | low-spin (LS) | Original | ||||||||||
| Why this differs from similar rows: Table 1(b) Model 3, low-spin Fe with a 1x2x2 supercell (Fe-Fe distance 4.7644 A); sibling rows use different Fe-Fe distances/supercells (Models 1, 2) or the high-spin state. | ||||||||||||||||||
| Bridgmanite |
|
— | 24.2717 cm³/mol Molar |
258.786 | 3.940 | third-order Birch-Murnaghan | — | Original | ||||||||||
| Bridgmanite |
|
— | — | 253 | 3.900 | unknown | — | Cited | ||||||||||
| Bridgmanite |
|
300 K | — | 247 | 3.970 | unknown | — | Cited | ||||||||||
| Bridgmanite |
|
— | — | — | — | unknown | — | Cited | ||||||||||
| Bridgmanite |
|
— | — | — | — | unknown | — | Cited | ||||||||||