Equation of state of MgGeO3 perovskite to 65 GPa: Comparison with the post-perovskite phase

Physics and Chemistry of Minerals

Volumn 33, Issue 10, 2006, Pages 699-709

  Runge, C E ^a   Kubo, A ^a   Kiefer, B ^b   Meng, Y ^c   Prakapenka, V B ^d   Shen, G ^c   Cava, R J ^a   Duffy, T S ^a  

^a PRINCETON UNIVERSITY   (United States)

^b NEW MEXICO STATE UNIVERSITY   (United States)

^c CARNEGIE INSTITUTION OF WASHINGTON   (United States)

^d UNIVERSITY OF CHICAGO   (United States)

Author keywords

Equation of state; Germanate; Lower mantle; Perovskite

Indexed keywords

CURVE FITTING; ELASTIC MODULI; EQUATIONS OF STATE; GEOCHEMISTRY; GERMANATE MINERALS; MAGNESIUM COMPOUNDS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; STRESSES;

BIRCH-MURNAGHAN EQUATION; MAGNESIUM GERMANATE; ZERO-PRESSURE VOLUME;

PEROVSKITE;

DIAMOND ANVIL CELL; EQUATION OF STATE; PEROVSKITE; PHASE TRANSITION; X-RAY DIFFRACTION;

EID: 33751170689     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-006-0116-8     Document Type: Article

References (63)

1. 3 perovskites. Phys Chem Miner 32:603-613
2. Anderson DL, Anderson OL (1970) Bulk modulus-volume relationship for oxides. J Geophys Res 75:3494-3500
3. Angel RJ (2000) Equations of state. Rev Miner Geochem 41:35-59
4. Bass JD, Liebermann RC, Weidner DJ, Finch SJ (1981) Elastic properties from acoustic and volume compression experiments. Phys Earth Planet Inter 25:140-158
5. Blöchl PE (1994) Projector augmented-wave method. Phys Rev B 50:17953-17979
6. Davies GF, Dziewonski AM (1975) Homogeneity and constitution of the earth's lower mantle and outer core. Phys Earth Planet Inter 10:336-343
7. 3 perovskite. Phys Earth Planet Inter 105:21-31
8. 3 perovskite at lower mantle pressure and temperature conditions. Geophys Res Lett 27:21-24
9. Hammersley AP, Svensson SO, Hanfland M, Fitch AN, HaüsErmann D (1996) Two-dimensional detector software: From real detector to idealized image or two-theta scan. High Press Res 14:235-248
10. 3 under high pressure and room temperature. Phys Chem Miner 26:212-216
11. 3 post-perovskite phase. Am Mineral 90:262-265
12. Hirose K, Karato S, Cormier VF, Brodholt JP, Yuen DA (2006) Unsolved problems in the lowermost mantle. Geophys Res Lett 33:L12S01
13. Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev B 136:864-871
14. Holland TJB, Redfern SAT (1997) UnitCell: A nonlinear least-squares program for cell-parameter refinement implementing regression and deletion diagnostics. J Appl Crystallogr 30:84
15. Holmes NC, Moriarty JA, Gathers GR, Nellis WJ (1989) The equation of state of platinum to 660 GPa (6.6 Mbar). J Appl Phys 66:2962-2967
16. 3: single-crystal X-ray diffraction study. Am Mineral 72:357-360
17. 3 post-perovskite phase in the Earth's lowermost mantle. Nature 430:442-445
18. Kavner A, Duffy TS (2001) Pressure-volume-temperature paths in the laser-heated diamond cell. J Appl Phys 89:1907-1914
19. Kavner A, Duffy TS (2003) Elasticity and rheology of platinum under high pressure and nonhydrostatic stress. Phys Rev B 68:144101
20. Kiefer B, Duffy TS (2005) Finite element simulations of the laser-heated diamond-anvil cell. J Appl Phys 97:114902
21. 3 perovskite to over 100 gigapascals. Science 235:668-670
22. Kohn W, Sham LJ (1965) Self-consistent equations including exchange and correlation effects. Phys Rev 140:1133-1138
23. Kresse G, FurthmülLer J (1996a) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mat Sci 6:15-50
24. Kresse G, FurthmülLer J (1996b) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54:11169-11186
25. Kresse G, Hafner J (1993) Ab initio molecular dynamics for liquid metals. Phys Rev B 47:558-561
26. Kresse G, Hafner J (1994) Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. Phys Rev B 49:14251-14269
27. Kresse G, Joubert D (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59:1758-1775
28. 3 to 2 Mbar. Geophys Res Lett 33:L12S12
29. 3 perovskite. Am Mineral 79:197-199
30. 3 perovskite and the composition of the lower mantle. Phys Earth Planet Inter 151:143-154
31. Liebermann RC, Jones LEA, Ringwood AE (1977) Elasticity of aluminate, titanate, stannate and germanate compounds with the perovskite structure. Phys Earth Planet Inter 14:165-178
32. Liu LG (1975) Post-oxide phases of olivine and pyroxene and mineralogy of the mantle. Nature 258:510-512
33. Liu LG (1976) Orthorhombic perovskite phases observed in olivine, pyroxene and garnet at high-pressures and temperatures. Phys Earth Planet Inter 11:289-298
34. 44 for platinum. Phys Lett 18:91-92
35. 3-perovskites to 30 GPa. J Geophys Res 96:8069-8079
36. 2 at room-temperature - observations of amorphization and equation of state measurements to 10.7 GPa. Geophys Res Lett 17:1157-1160
37. 3 post-perovskite at lower mantle pressures. Science 311:644-646
38. 3. Science 304:855-858
39. 3-perovskite under high pressure. Solid State Comm 107:223-225
40. 3 in Earth's D″ layer. Nature 430:445-448
41. 3. Earth Planet Sci Lett 184:555-560
42. 3 up to 144 GPa. Am Mineral 91:475-478
43. 3 polymorphs (orthopyroxene, clinopyroxene, and ilmenite) and their phase relations and crystal structures. Am Mineral 68:1199-1205
44. Perdew JP, Zunger A (1981) Self-interaction correction to density-functional approximations for many-electron systems. Phys Rev B 23:5048-5079
45. 3 perovskite. Phys Chem Miner 17:228-237
46. 3 polymorphs (orthopyroxene, clinopyroxene, and ilmenite structures) by calorimetry, spectroscopy, and phase equilibria. Am Mineral 73:1355-1365
47. Shen G, Rivers ML, Wang Y, Sutton SR (2001) Laser heated diamond cell system at the Advanced Photon Source for in situ X-ray measurements at high pressure and temperature. Rev Sci Instrum 72:1273-1282
48. Shieh SR, Duffy TS, Shen G (2004) Elasticity and strength of calcium silicate perovskite at lower mantle pressures. Phys Earth Planet Inter 143-144:93-106
49. 3 orthopyroxene. Proc Natl Acad Sci USA 103:3039-3043
50. 3 perovskite. Am Mineral 85:354-363
51. 3 perovskite to 108 GPa at 300 K. Phys Earth Planet Inter 120:327-338
52. 3 perovskite to 2300-kilometer depth in the Earth's mantle. Science 293:2437-2440
53. 3 perovskite to the core-mantle boundary. Geophys Res Lett 31:L10603
54. Singh AK (1993) The lattice strains in a specimen (cubic system) compressed nonhydrostatically in an opposed anvil device. J Appl Phys 73:4278-4286
55. 2) to 9.3 GPa. Phys Chem Miner 29:465-472
56. 3. Earth Planet Sci Lett 230:1-10
57. 3 postperovskite. J Geophys Res 110:B02204
58. 3 perovskite. Geophys Res Lett 33:L03306
59. Walter MJ, Kubo A, Yoshino T, Brodholt J, Koga KT, Ohishi Y (2004) Phase relations and equation-of-state of aluminous Mg-silicate perovskite and implications for Earth's lower mantle. Earth Planet Sci Lett 222:501-516
60. 3 perovskite: Constraints on composition of the lower mantle. Phys Earth Planet Inter 83:13-40
61. Wentzcovitch RM, Tsuchiya T, Tsuchiya J (2006) MgSiO 3 postperovskite at D″ conditions, Proc Natl Acad Sci USA 103:543-546
62. Wookey J, Stackhouse S, Kendall J-M, Brodholt J, Price GD (2005) Efficacy of the post-perovskite phase as an explanation for lowermost-mantle seismic properties. Nature 438:1004-1007
63. Xia X, Weidner DJ, Zhao H (1998) Equation of state of brucite: Single crystal Brilluoin spectroscopy study and polycrystalline pressure-volume-temperature measurement. Am Mineral 83:68-74