Two-stage dissociation in MgSiO3 post-perovskite

Earth and Planetary Science Letters

Volumn 311, Issue 3-4, 2011, Pages 225-229

  Umemoto, Koichiro ^a   Wentzcovitch, Renata M ^b  

^a UNIVERSITY OF MINNESOTA   (United States)

^b University of Minnesota   (United States)

Author keywords

10 solar giants; First principles; Postperovskite; Pressure induced phase transition; Super Earth

Indexed keywords

10 SOLAR GIANTS; FIRST-PRINCIPLES; POST-PEROVSKITE; PRESSURE-INDUCED PHASE TRANSITION; SUPER-EARTH;

CESIUM ALLOYS; PEROVSKITE; PHASE TRANSITIONS; SILICATES; THERMODYNAMIC PROPERTIES;

DISSOCIATION;

CONTINENTAL INTERIOR; CORE (PLANETARY); JUPITER; MANTLE STRUCTURE; PEROVSKITE; PHASE TRANSITION; PRESSURE EFFECT; SILICATE MINERAL; SLOPE; THERMODYNAMIC PROPERTY;

EID: 80054122813     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2011.09.032     Document Type: Article

References (54)

1. Angel R.J., Ross N.L., Seifert F., Fliervoet T.F. Structural characterization of pentacoordinate silicon in a calcium silicate. Nature 1996, 384:441-444.
2. 5. Am. Mineral. 1997, 82:836-839.
3. 4+. Eur. J. Mineral. 2009, 21:885-891.
4. Baroni S., de Gironcoli S., Dal Corso A., Giannozzi P. Phonons and related crystal properties from density-functional perturbation theory. Rev. Mod. Phys. 2001, 73:515-562.
5. Batalha N.M., et al. Kepler's First Rocky Planet: Kepler-10b. Astrophys. J. 2011, 729:27.
6. Beaulieu J.P., et al. Discovery of a cool planet of 5.5 Earth masses through gravitational microlensing. Nature 2006, 439:437-440.
7. Carrier P., Justo J.F., Wentzcovitch R.M. Quasiharmonic elastic constants corrected for deviatoric thermal stresses. Phys. Rev. B 2008, 78:144302.
8. Ceperley D.M., Alder B.J. Ground state of the electron gas by a stochastic method. Phys. Rev. Lett. 1980, 45:566-569.
9. Charbonneau D., et al. A super-Earth transiting a nearby low-mass star. Nature 2009, 462:891.
10. Christensen U.R., Yuen D.A. Layered convection induced by phase transitions. J. Geophys. Res. 1985, 90:10291-10300.
11. da Silveira P.R.C., da Silva C.R.S., Wentzcovitch R.M. Metadata management for distributed first principles calculations in VLab-A collaborative cyberinfrastructure for materials computation. Comput. Phys. Commun. 2008, 178:186-198.
12. Giannozzi P., de Gironcoli S., Pavone P., Baroni S. Ab initio calculation of phonon dispersions in semiconductors. Phys. Rev. B 1991, 43:7231-7242.
13. Giannozzi P., et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 2009, 21:395502. http://www.quantum-espresso.org.
14. 3 and its implication for mantle structure in super-Earths. Geophys. Res. Lett. 2010, 37:L14204.
15. Guillot T. Probing the Giant Planets. Phys. Today 2004, 57:63.
16. 3 postperovskite: implication for the seismic velocity changes in the D egion. Geophys. Res. Lett. 2008, 35:L10309.
17. Karato S. Rheological structure of the mantle of a super-Earth: some insights from mineral physics. Icarus 2011, 212:14-23.
18. Karki B.B., Stixrude L., Clark S.J., Warren M.C., Ackland G.J., Crain J. Structure and elasticity of MgO at high pressure. Am. Mineral. 1997, 82:51-60.
19. Leger A., et al. Transiting exoplanets from the CoRoT space mission VIII. CoRoT-7b: the first super-Earth with measured radius. Astron. Astrophys. 2009, 506:287-302.
20. Lissauer J.J., et al. A closely packed system of low-mass, low-density planets transiting Kepler-11. Nature 2011, 470:53-58.
21. 3 (Neighborite) in perovskite- and post-perovskite-related structures. Geophys. Res. Lett. 2006, 33:L11305.
22. ⊕). Astron. Astrophys. 2009, 493:639-644.
23. Mehl M.J., Cohen R.E., Krakauer H. Linearized augmented plane wave electronic structure calculations for MgO and CaO. J. Geophys. Res. 1988, 93:B8009-B8022.
24. 3. Science 2004, 304:855-858.
25. Navrotsky A. Lower mantle phase transitions may generally have negative pressure-temperature slopes. Geophys. Res. Lett. 1980, 7:709-711.
26. 5 polymorph with 5- and 6-coordinated germanium. Am. Mineral. 2007, 92:441-443.
27. Oganov A.R., Gillan M.J., Price G.D. Ab initio lattice dynamics and structural stability of MgO. J. Chem. Phys. 2003, 118:10174-10182.
28. 3 in Earth's D layer. Nature 2004, 430:445-448.
29. 5. Phys. Chem. Miner. 2010, 38:251-258.
30. Peltier W.R., Solheim L.P. Mantle phase transitions and layered chaotic convection. Geophys. Res. Lett. 1992, 19:321-324.
31. Perdew J.P., Zunger A. Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 1981, 23:5048-5079.
32. Perdew J.P., Burke K., Ernzerhof M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1981, 77:3865-3868.
33. Queloz D., et al. The CoRoT-7 planetary system: two orbiting super-Earths. Astron. Astrophys. 2009, 506:303-319.
34. ⊕ Planet Orbiting the Nearby Star, GJ 876. Astrophys. J. 2005, 634:625-640.
35. Sotin C., Grasset O., Mocquet A. Mass-radius for extrasolar Earth-like planets and ocean planets. Icarus 2007, 191:337-351.
36. Tackley P.J. On the penetration of an endothermic phase transition by upwellings and downwellings. J. Geophys. Res. 1995, 100:15477-15488.
37. 3 perovskite in the earth's lower mantle. Earth Planet. Sci. Lett. 2004, 224:241-248.
38. 3 post-perovskite. J. Geophys. Res. 2005, 110(B2):B02204.
39. 3 at multimegabar pressures. Proc. Natl. Acad. Sci. 2011, 108:1252-1255.
40. ⊕) in a 3-planet system. Astron. Astrophys. 2007, 469:L43-L47.
41. 3 in the cores of gas giants and terrestrial exoplanets. Science 2006, 311:983-986.
42. 3. Geophys. Res. Lett. 2006, 33:L15304.
43. 3-type compounds. Phys. Rev. B 2006, 224105.
44. 3 at 3.7Mbar. Proc. Natl. Acad. Sci. 2008, 6526-6530.
45. Valencia D., O'Connell R.J., Sasselov D. Internal structure of massive terrestrial planets. Icarus 2006, 181:545-554.
46. van den Berg A.P., Yuen D.A., Beebe G.L., Christiansen M.D. The dynamical impact of electronic thermal conductivity on deep mantle convection of exosolar planets. Phys. Earth Planet. Inter. 2010, 178:136-154.
47. Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 1990, 41:R7892-R7895.
48. Wallace D. Thermodynamics of Crystals 1972, Wiley, New York.
49. Wentzcovitch R.M. Invariant molecular-dynamics approach to structural phase transitions. Phys. Rev. B 1991, 44:2358-2361.
50. 3. Phys. Rev. Lett. 1993, 70:3947-3950.
51. Wu Z., Wentzcovitch R.M., Umemoto K., Li B., Hirose K., Zheng J.C. Pressure-volume-temperature relations in MgO: an ultrahigh pressure-temperature scale for planetary sciences applications. J. Geophys. Res. 2008, 113:B06204.
52. 5. Phys. Rev. Lett. 2009, 103:065503.
53. 2 by a genetic algorithm. Phys. Rev. B 2011, 83:184102.
54. 5. J. Solid State Chem. 1998, 138:238-244.