Equation of state and high‐pressure phase transitions of stishovite (SiO2): Ab initio (periodic Hartree‐Fock) results
10.1029/93jb00783 · 1993 · Journal of Geophysical Research Atmospheres
David Μ. Sherman
12 EOS records from this paper
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Stishovite |
|
— | 46.2 ų Unit cell |
328 | 4 | third-order Birch-Murnaghan | — | Original | ||||
| SiO2 modified-fluorite |
|
— | 42.9 ų Unit cell |
387 | 4.400 | third-order Birch-Murnaghan | — | Original | ||||
| Stishovite |
|
— | — | 300 | 4 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Bassett and Barnett [1970], 0-8.5 GPa experimental compression; this is a compilation table (Table 2) where other rows cite different original studies. | ||||||||||||
| Stishovite |
|
— | — | 344 | 2 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Liu et al. [1974], 0-22.3 GPa; text notes nonhydrostatic conditions were present in this experiment, unlike other cited studies in the same compilation table. | ||||||||||||
| Stishovite |
|
— | — | 298 | 0.700 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Sato [1977], 0-11 GPa experimental compression; compilation table (Table 2) where other rows cite different original studies. | ||||||||||||
| Stishovite |
|
— | — | 306 | — | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Weidner et al. [1982] Brillouin scattering (no K' reported), a different method from the compression studies cited in sibling rows of this table. | ||||||||||||
| Stishovite |
|
— | 46.591 ų Unit cell |
313 | 6 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Sugiyama et al. [1987], 0-6 GPa experimental compression; other rows in this compilation table cite different original studies. | ||||||||||||
| Stishovite |
|
— | — | 376 | 4 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Tsuchida and Yagi [1989], 0-80 GPa DAC; text notes hydrostatic conditions were not obtained in their diamond anvil cell, unlike other cited studies. | ||||||||||||
| Stishovite |
|
— | 46.615 ų Unit cell |
313 | 2.800 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Ross et al. [1990], 0-15 GPa experimental compression, with crystallographic parameters also reported; other rows in this table cite different original studies. | ||||||||||||
| Stishovite |
|
— | 47.5 ų Unit cell |
288 | 3.140 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Park et al. [1988] LAPW ab initio result; text notes a discrepancy with Cohen [1991] and this work, possibly from incomplete convergence of Park et al.'s LAPW energies. | ||||||||||||
| Stishovite |
|
— | 46.16 ų Unit cell |
324 | 4.040 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Cohen [1991] LAPW ab initio result; sibling rows in this table cite different original studies (Park et al. [1988], Keskar et al. [1991]). | ||||||||||||
| Stishovite |
|
— | 45.64 ų Unit cell |
292 | 5.860 | unknown | — | Cited | ||||
| Why this differs from similar rows: Cites Keskar et al. [1991] plane-wave pseudopotential (PW-PP) calculation, a different ab initio method from the LAPW results in sibling rows; text notes PW-PP underestimates V0. | ||||||||||||