Experimental and theoretical thermal equations of state of MgSiO3 post-perovskite at multi-megabar pressures
10.1038/srep22652 · 2016 · Scientific Reports
Takeshi Sakai; Haruhiko Dekura; Naohisa Hirao
17 EOS records from this paper
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Post-perovskite |
|
— | 162.86 ų/f.u. Formula unit |
231.930 | 4.430 | Vinet | — | Cited | ||||||
| Why this differs from similar rows: Oganov and Ono ab initio result using the LDA functional (Table 1); sibling row uses the GGA functional instead, giving different V0/K0/K'. | ||||||||||||||
| Post-perovskite |
|
— | 167.64 ų/f.u. Formula unit |
199.960 | 4.541 | Vinet | — | Cited | ||||||
| Why this differs from similar rows: Oganov and Ono ab initio result using the GGA functional (Table 1); sibling row uses the LDA functional instead. | ||||||||||||||
| Post-perovskite |
|
— | 163.81 ų/f.u. Formula unit |
222 | 4.200 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Cites Tsuchiya et al. ab initio LDA result (Table 1); other rows cite different original studies/methods (GGA theory, shock experiment). | ||||||||||||||
| Post-perovskite |
|
— | 167.67 ų/f.u. Formula unit |
— | — | unknown | — | Cited | ||||||
| Post-perovskite |
|
300 K | 162.86 ų/f.u. Formula unit |
237 | 4 | third-order Birch-Murnaghan | A-Au: Equation of state of Au by Anderson… | Cited | ||||||
| Post-perovskite |
|
300 K | 162.86 ų/f.u. Formula unit |
248 | 4 | third-order Birch-Murnaghan | Dw-Au: Equation of state of Au by Dewaele… | Cited | ||||||
| Post-perovskite |
|
300 K | 162.2 ų/f.u. Formula unit |
231.200 | 4 | third-order Birch-Murnaghan | S/K-MgO: Speziale et al. MgO scale (room… | Cited | ||||||
| Post-perovskite |
|
— | 163.4 ų/f.u. Formula unit |
200 | 4.230 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Cites Caracas and Cohen ab initio GGA result (Table 1); other rows cite different original studies/methods. | ||||||||||||||
| Post-perovskite |
|
— | 162.2 ų/f.u. Formula unit |
225 | 4.210 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Cites Mosenfelder et al. shock-compression experiment, using Guignot et al.'s P-V-T data and V0 (Table 1); other rows cite different original studies/methods. | ||||||||||||||
| Post-perovskite |
|
300 K | 158 ų/f.u. Formula unit |
292 | 3.740 | third-order Birch-Murnaghan | T-MgO: Tange et al. MgO scale (3BM) | Original | ||||||
| Post-perovskite |
|
300 K | 156.5 ų/f.u. Formula unit |
324 | 3.300 | Vinet | T-MgO: Tange et al. MgO scale (Vinet) | Original | ||||||
| Post-perovskite |
|
300 K | 155.9 ų/f.u. Formula unit |
336 | 3.130 | AP2 | T-MgO(AP2): Tange et al. MgO scale | Original | ||||||
| Why this differs from similar rows: 'fit3': This study + Guignot et al. data with V0 free; sibling row 'fit4' instead fixes V0 to the g-G-plot value (163.45 A3), changing the fitted K0/K'. | ||||||||||||||
| Post-perovskite |
|
300 K | 163.45 ų/f.u. Formula unit |
228 | 4.180 | AP2 | T-MgO(AP2): Tange et al. MgO scale | Original | ||||||
| Why this differs from similar rows: 'fit4': This study + Guignot et al. data with V0 fixed to 163.45 A3 from the g-G plot; sibling row 'fit3' instead lets V0 float freely. | ||||||||||||||
| Post-perovskite |
|
300 K | 157.16 ų/f.u. Formula unit |
310 | 3.470 | Keane | T-MgO(Keane): Tange et al. MgO scale | Original | ||||||
| Why this differs from similar rows: 'fit5': This study + Guignot et al. data (Keane EOS) with all parameters free; sibling fits fix V0/K-infinity' to these values (fit6/fit7) or use ab initio data instead (fit8). | ||||||||||||||
| Post-perovskite |
|
300 K | 157.16 ų/f.u. Formula unit |
310 | 3.470 | Keane | T-MgO(Keane): Tange et al. MgO scale | Original | ||||||
| Why this differs from similar rows: 'fit6': same dataset as fit5 but with V0 and K-infinity' fixed to the fit5 values (157.16, 2.19) while other parameters are refit; V0/K0/K' match fit5 but theta0/beta differ. | ||||||||||||||
| Post-perovskite |
|
300 K | 164.26 ų/f.u. Formula unit |
203 | 5.350 | Keane | T-MgO(Keane): Tange et al. MgO scale | Original | ||||||
| Why this differs from similar rows: 'fit7' (preferred experimental EOS): V0 fixed to 164.26 A3 from the g-G plot, unlike the free V0 of fit5/fit6; text notes K-infinity' may be slightly misestimated in this fit. | ||||||||||||||
| Post-perovskite |
|
300 K | 164.22 ų/f.u. Formula unit |
205.400 | 5.069 | Keane | — | Original | ||||||
| Why this differs from similar rows: 'fit8': ab initio DFT-LDA theoretical data (not experimental XRD like sibling fits), all parameters free; V0 determined without extrapolation. | ||||||||||||||