First-principles study of the elastic and thermodynamic properties of CaSiO3perovskite
10.1088/0953-8984/19/24/246103 · 2007 · Journal of Physics Condensed Matter
Zi‐Jiang Liu; Xiao Wei Sun; Q F Chen; Ling‐Cang Cai; Haiying Wu; Suhong Ge
15 EOS records from this paper
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Davemaoite |
|
— | 45.46 ų Unit cell |
240 | 4.150 | third-order Birch-Murnaghan | — | Original | ||||||
| Davemaoite |
|
— | 45.56 ų Unit cell |
237 | 3.990 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Li et al (2006) [17], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 46.9 ų Unit cell |
219 | 4.080 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Jung and Oganov (2005) [16], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 45.9 ų Unit cell |
228 | 4.300 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Akber-Knutson et al (2002) [18], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 45.69 ų Unit cell |
216 | 4.820 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Magyari-Kope et al (2002) [19], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 45.35 ų Unit cell |
241 | 4.140 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Karki and Crain (1998) [5], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 45.62 ų Unit cell |
227 | 4.290 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Chizmeshya et al (1996) [14], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 46.15 ų Unit cell |
254 | 4.400 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 is a compilation of theoretical results; this row cites Wentzcovitch et al (1995) [11], while sibling rows cite different original studies. | ||||||||||||||
| Davemaoite |
|
— | 55.74 ų Unit cell |
263 | 4.130 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Cites Wolf and Bukowinski (1987) [42]; text notes this value (and Wolf & Jeanloz [41]) is higher than the rest because they 'did not use ab initio methods fully'. | ||||||||||||||
| Davemaoite |
|
— | 56.13 ų Unit cell |
270 | 3.860 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Cites Wolf and Jeanloz (1985) [41]; text notes this and Wolf & Bukowinski [42] are higher than the rest of the table because they did not use fully ab initio methods. | ||||||||||||||
| Davemaoite |
|
— | 45.38 ų Unit cell |
248 | 4 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 Experiment column cites Ono et al (2005) [38]; K' = 4 given without uncertainty, suggesting it was fixed in that original fit, unlike some sibling rows. | ||||||||||||||
| Davemaoite |
|
— | 45.58 ų Unit cell |
255 | 4 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 Experiment column cites Shim et al (2002) [39]; K' = 4 given without uncertainty, suggesting it was fixed in that original fit, unlike some sibling rows. | ||||||||||||||
| Davemaoite |
|
— | 45.58 ų Unit cell |
232 | 4.800 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 Experiment column cites Wang et al (1996) [8], a different original experimental study than the other experiment rows in this compilation table. | ||||||||||||||
| Davemaoite |
|
— | 45.37 ų Unit cell |
281 | 4 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 Experiment column cites Mao et al (1989) [7]; K' = 4 given without uncertainty, suggesting it was fixed in that original fit, unlike some sibling rows. | ||||||||||||||
| Davemaoite |
|
— | 45.58 ų Unit cell |
352 | 4 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 Experiment column cites Tamai and Yagi (1989) [40]; K' = 4 given without uncertainty, suggesting it was fixed in that original fit, unlike some sibling rows. | ||||||||||||||