Multi-mbar phase transitions in minerals

Reviews in Mineralogy and Geochemistry

Volumn 71, Issue , 2010, Pages 299-314

  Umemoto, Koichiro ^a   Wentzcovitch, Renata M ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION PRODUCTS; FIRST-PRINCIPLES CALCULATION; POST-PEROVSKITE; STATIC COMPRESSION; TRANSITION MECHANISM; TRANSITION PRESSURE;

CRYSTAL CHEMISTRY; DISSOCIATION; EARTH (PLANET); PEROVSKITE; SILICON COMPOUNDS; TRANSITION METALS;

MINERALS;

EID: 77957115104     PISSN: 15296466     EISSN: None     Source Type: Book Series    
DOI: 10.2138/rmg.2010.71.14     Document Type: Article

References (94)

1. 3 (M=Sc, Y, Sm, Gd, and In)-type compounds. J Solid State Chem 89: 378-384
2. Baroni S, de Gironcoli S, Dal Corso A, Giannozzi P (2001) Phonons and related crystal properties from density-functional perturbation theory. Rev Mod Phys 73: 515-562
3. 3 at high pressures. Geophys Res Lett 32:L06303
4. Caracas R, Cohen RE (2007) Post-perovskite phase in selected sesquioxides from density-functional calculations. Phys Rev B 76: 184101
5. 3. Acta Cryst B30: 952-954
6. Ceperley DM, Alder BJ (1980) Ground state of the electron gas by a stochastic method. Phys Rev Lett 45: 566-569
7. Chen NH, Silvera IF (1996) Excitation of ruby fluorescence at multimegabar pressures. Rev Sci Instrum 67: 4275-4278
8. Cynn H, Isaak DG, Cohen RE, Nicol MF, Anderson OL (1990) A high-pressure phase transition of corundum predicted by the potential induced breathing model. Am Mineral 75: 439-442
9. 3. Phys Rev B 2: 3771-3776
10. Erskine D (1994) High pressure Hugoniot of sapphire. In: High Pressure Science and Technology-1993. Schidt SC, Shaner JW, Samara GA, Ross M (eds) AIP Press, New York, p 141-143
11. Flahaut J (1979) Sulfides, selenides, and tellurides. In: Handbook on the Physics and Chemistry of RareEarths. Gschneidner KA Jr., Eyring LR (eds) North-Holland, Amsterdam, New York, Oxford. 4: 1-88
12. Frost DJ, Liebske C, Langenhorst F, McCammon CA, Trannes RG, Rubie DC (2004) Experimental evidence for the existence of iron-rich metal in the Earth's lower mantle. Nature 428: 409-412 (Pubitemid 38419683)
13. 3. Science 278: 1109-1111
14. Giannozzi P, de Gironcoli S, Pavone P, Baroni S (1991) Ab initio calculation of phonon dispersions in semiconductors. Phys Rev B 43: 7231-7242
15. Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, Ceresoli D, Chiarotti GL, Cococcioni M, Dabo I, Dal Corso A, de Gironcoli S, Fabris S, Fratesi G, Gebauer R, Gerstmann U, Gougoussis C, Kokalj A, Lazzeri M, Martin-Samos L, Marzari N, Mauri F, Mazzarello R, Paolini S, Pasquarello A, Paulatto L, Sbraccia C, Scandolo S, Sclauzero G, Seitsonen AP, Smogunov A, Umari P, Wentzcovitch RM (2009) Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials. J Phys Condens Matter 21: 395502
16. Guillot T (2004) Probing the giant planet. Phys Today 57 (4):63-69
17. Haines J, Leger JM, Gorelli F, Klug DD, Tse JS, Li ZQ (2001) X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride. Phys Rev B 64: 134130
18. 3. Geophys Res Lett 32: L13313-13316
19. 3 postperovskite phase. Am Mineral 90: 262-265
20. Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev 136: B864-B871
21. Husson E, Proust C, Gillet P, Itié JP (1999) Phase transitions in yttrium oxide at high pressure studied by Raman spectroscopy. Mater Res Bull 34: 2085-2092 (Pubitemid 30567495)
22. 3 postperovskite: Implication for the seismic velocity changes in the D" region. Geophys Res Lett 35:L10309
23. Hyde BG, Andersson S, Bakker M, Plug CM, O'Keeffe M (1979) The (twin) composition plane as an extended defect and structure-building entity in crystals. Prog Solid St Chem 12: 273-327 (Pubitemid 10436593)
24. Hyde BG, Andersson S (1989) Inorganic Crystal Structures. Wiley, New York
25. Kohn W, LJ Sham (1965) Self-consistent equations including exchange and correlation effects. Phys Rev 140: A1133-A1138
26. 3 to 2 Mbar. Geophys Res Lett 33: L12S12-12S15
27. 3 post-perovskite phase to 1 Mbar. Am Mineral 93: 965-976
28. Li J, Struzhkin VV, Mao HK, Shu J, Hemley RJ, Fei Y, Mysen B, Dera P, Prakapenka V, Shen G (2004) Electronic spin state of iron in lower mantle perovskite. Proc Nat Acad Sci USA 101: 14027-14030 (Pubitemid 39305023)
29. Lin JF, Degtyareva O, Prewitt CT, Dera P, Sate N, Gregoryanz E, Mao HK, Hemley RJ (2004) Crystal structure of a high-pressure/high-temperature phase of alumina by in situ X-ray diffraction. Nat Mater 3: 390-393
30. 3 perovskite under pressure. Geophys Res Lett 32:L04304-04307
31. Mao HK, Bell PM (1976) High pressure physics: I Megabar in ruby R1 static pressure scale. Science 191: 851-852
32. Marsh S (1980) LASL Shock Hugoniot Date. Univ of California Press, Berkeley, p. 260
33. 3 (neighborite) in perovskite- and post-perovskite-related structures. Geophys Res Lett 33:L11305
34. 3. Am Mineral 79:789-792
35. 3) observed under shock compression. Geophys Res Lett 27:2021-2024
36. McQueen RG, Isaak DG (1990) Characterizing windows for shock-wave radiation studies. J Geophys Res 95 (B13): 21753-21765
37. 3. Acta Crystellogr C47: 2287-2291
38. Meld MJ, Cohen RE, Krakauer H (1988) Linearized augmented plane wave electronic structure calculations for MgO and CaO. J Geophys Res 93(B7): 8009-8022
39. Mermin ND (1965) Thermal properties of the inhomogeneous electron gas. Phys Rev 137:A1441-A1443
40. Mitchell K, Somers RC, Huang FQ, Ibers JA (2004) Syntheses, structure, and magnetic properties of several LnYbQ3 chalcogenides, Q=S, Se. J Solid State Chem 177: 709-713
41. 3. Science 304: 855-858
42. 3 perovskite on the post-perovskite transition. Geophys Res Lett 34:L12307
43. 3: implication for high-pressure phase transition in sesquioxides. High Pressure Res 29: 379-388
44. Oganov AR, Gillan MJ, Price GD (2003) Ab initio lattice dynamics and structural stability of MgO. J Chem Phys 118: 10174-10182
45. 3 in Earth's D" layer. Nature 430: 445-448
46. Oganov AR, Gillan MJ, Price GD (2005a) Structural stability of silica at high pressures and temperatures. Phys Rev B 71: 064104
47. Oganov AR, Ono S (2005) The high-pressure phase of alumina and implications for Earth's D" layer. Proc Nat Acad Sci USA 102: 10828-10831
48. 3. J Phys Condens Matt 17: 267-276
49. 3 at high pressures and high temperatures. J Phys Chem Solids 66: 1714-1720
50. 3 up to 200 GPa: Implications for the electrical conductivity of the base of the lower mantle. Earth Planet Sci Lett 246: 326-335
51. Perdew JP, Zunger A (1981) Self-interaction to density-functional approximations for many-electron systems. Phys Rev B 23: 5048-5079
52. Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77: 3865-3868 (Pubitemid 126631804)
53. Rivera EJ, Lissauer JJ, Buder RP, Marcy GW, Vogt SS, Fischer DA, Brown TM, Laughlin G, Henry GW (2005) A similar to 7.5 M⊗ plus planet orbiting the nearby star, GJ 876. Astrophys J 634: 625-640
54. 3. Affinement des structures des deux varieties. Acta Crystellogr C39: 670-673
55. 3 polymorphs (orthopyroxene, clinopyroxene, and ilmenitestructures) by calorimetry, spectroscopy, and phase equilibria. Am Mineral 73: 1355-1365
56. 3 type. Geophys Res Lett 33:L15307
57. Sato B, Fischer DA, Henry GW, Laughlin G, Butler RP, Marcy GW, Vogt SS, Bodenheimer P, Ida S, Toyota E, WolfA, Valenti JA, Boyd LJ, Johnson JA, Wright JT, Ammons M, Robinson S, Strader J, McCarthy C, Tah KL, Minnti D (2005) The N2K consortium. II. A transiting hot Saturn around HD 149026 with a large dense core. Astrophys J 633: 465-473
58. 3. J Solid State Chem 2: 134-136
59. Shannon RD (1976) Revised effective ionic rüdii and systematic studies of interatomic distances in halides and chalcogenides. Acta Cryst A32: 751-767
60. 3 to 62 GPa. Am Mineral 87: 318-326
61. 3 to 61 GPa. Phys Rev B 69:144107
62. 3 and implications for planetary magnetic records and deep interiors. Proc Nat Acad Sci USA 106: 5508-5512
63. Sun T, Umemoto K, Wu Z, Zhen JC, Wentzcovitch RM (2008) Lattice dynamics and thermal equation of stated of platinum. Phys Rev B 78: 024304
64. Tackley P (1995) On the penetration of an endothermic phase transition by upwellings and downwellings. J Geophys Res 100 (B8): 15477-15488
65. 2 to 180 GPa: Effect of Al on postperovskite phase transition. Geophys Res Lett 32:L15306
66. Thomson KT, Wentzcovitch RM, Bukowinski MST (1996) Polymorphs of alumina predicted by first principles: Putting pressure on the ruby pressure scale. Science 274: 1880-1882
67. 3 perovskite in the earth's lower mantle. Earth Planet Sci Lett 224: 241-248
68. 3 structure and the high-pressure-temperature phase diagram of alumina. Phys Rev B 72: 020103(R)
69. 3. Am Mineral 91: 1879-1887
70. 3 and their pressure dependences: Ab initio calculations. Phys Rev B 76: 144119
71. 3(II) transition and the high pressure-temperature phase diagram of Gallia: A first-principles and x-ray diffraction study. Phys Rev B 76: 174108
72. 3-type compounds. Phys Rev B 74: 224105
73. 3 at 3.7 Mbar. Proc Nat Acad Sci USA 105: 6526-6530
74. 3 in the cores of gas giants and terrestrial exoplanets. Science 311: 983-986
75. 3. Geophys Res Lett 33: L15304
76. Valencia D,O'Connell RJ, Sasselov D (2006) Internal structure of massive terrestrial planets. Icarus 181: 545-554
77. Vanderbilt D (1990) Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev B 41: 7892-7895(R)
78. Wallace D (1972) Thermodynamics of Crystals. John Wiley, Hoboken, NJ
79. 3+. Appl Phys Lett 94:061921
80. Weinstein SA (1995) The effects of a deep mantle endothermic phase change on the structure of thermal convection in silicate planets. J Geophys Res 100(E6): 11719-11728
81. Wentzcovitch RM (1991) Invariant molecular-dynamics approach to structural phase transitions. Phys Rev B 44: 2358-2361
82. Wentzcovitch RM, Martins JL, Allen PB (1992) Energy versus free energy in first principles calculations. Phys Rev B 45: 11372-11374
83. 3. Phys Rev Lett 70: 3947-3950
84. Wentzcovitch RM, Yu YG, Wu Z (2010) Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory. Rev Mineral Geochem 71: 59-98
85. Wood BJ, Rubie DC (1998) The effect of alumina on phase transformations at the 660-kilometer discontinuity from Fe-Mg partitioning experiments. Science 273: 1522-1524
86. δO5. Phys Rev Lett 103: 065503
87. Wu Z, Umemoto K, Wu A, Zhen JC, Wentzcovitch RM (2008) P-V-T relations in MgO; an ultra-high pressure scale for planetary sciences applications. J Geophys Res 113:B06204
88. Xu Y, McCammon C, Poe BT (1998) The effect of alumina on the electrical conductivity of silicate perovskite. Science 282: 922-924 (Pubitemid 28507519)
89. Yagi T, Suzuki T, Akimoto S (1983) New high-pressure polymorphs ion sodium halides. J Phys Chem Solids 44: 135-140 (Pubitemid 13526963)
90. 3 under high pressure: Experiment and theory. Phys Rev B 77: 064107
91. 3: Experiments and theoretical confirmation of a high-pressure polymorph in sesquioxide. Phys Rev B 78: 092107
92. 3: a new trend in dense structures in sesquioxides. Inorg Chem 48: 7537-7543
93. Zhang J, Weidner DJ (1999) Thermal Equation of state of aluminum-enriched silicate perovskite. Science 284: 782-784 (Pubitemid 29291338)
94. 3 perovskite. J Geophys Res 99(B2): 2871-2885