Electronic spin transitions and the seismic properties of ferrous iron-bearing MgSiO3 post-perovskite

Geophysical Research Letters

Volumn 33, Issue 12, 2006, Pages

  Stackhouse, Stephen ^a   Brodholt, John P ^a   Dobson, David P ^a   Price, G David ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION; ELASTIC MODULI; ELASTICITY; MAGNESIUM COMPOUNDS; PEROVSKITE; PHASE TRANSITIONS;

ELECTRONIC SPIN TRANSITION; FERROUS IORN BEARING; SEISMOIC PROPERTIES;

IRON ALLOYS;

CHEMICAL COMPOSITION; ELASTIC PROPERTY; ELECTRON; PEROVSKITE; SEISMIC PROPERTY;

EID: 33749053136     PISSN: 00948276     EISSN: None     Source Type: Journal    
DOI: 10.1029/2005GL025589     Document Type: Article

References (29)

1. Alfredsson, M., G. D. Price, C. R. A. Catlow, S. C. Parker, R. Orlando, and J. P. Brodholt (2004), Electronic structure of the antiferromagnetic BI-structured FeO, Phys. Rev. B., 70, 165111.
2. Badro, J., G. Fiquet, F. Guyot, J.-P. Rueff, V. V. Struzhkin, G. Vankó, and G. Monaco (2003), Iron partitioning in Earth's mantle: Toward a Deep lower mantle discontinuity, Science, 300, 789-791.
3. Badro, J., J.-P. Rueff G. Vankó, G. Monaco, G. Fiquet, and F. Guyot (2004), Electronic transitions in perovskite: Possible nonconvecting layers in the lower mantle, Science, 305, 383-386.
4. Blöchl, P. R. (1994), Projector augmented-wave method, Phys. Rev. B., 50, 17,953-17,979.
5. 3 system and implications for the lowermost mantle, Geophys. Res. Lett., 32, L16310, doi:10.1029/2005GL023164.
6. 4 fayalite: Comparison of LDA and GGA results, Phys. Rev. B, 67, 094106.
7. Dobson, D., and J. P. Brodholt (2005), Subducted banded iron formations as a source of ultralow-velocity zones at the core-mantle boundary, Nature, 434, 371-374.
8. Garnero, E. J., and D. V. Helmberger. (1995), A very low basal layer underlying large-scale low-velocity anomalies in the lower mantle beneath the Pacific: Evidence from core phases, Phys. Earth Planet Int., 91, 161-176.
9. 3 perovskite to over 100 gigapascals, Science, 235, 668-670.
10. 3 post-perovskite, perovskite, and magnesiowüstite in the Earth's lower mantle, Geophys. Res. Lett., 32, L19301, doi:10.1029/2005GL023257.
11. Kresse, G., and J. Furthmuller (1996), Efficient interative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B, 54, 11,169-11,186.
12. Kresse, G., and D. Joubert (1999), From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B, 59, 1758-1775.
13. Lee, K. K. M., B. O'Neill, W. R. Panero, S.-H. Shim, L. R. Benedetti, and R. Jeanloz (2004), Equation of state of the high-pressure phases of a natural peridotite and implications for the Earth's lower mantle, Earth Planet. Sci. Lett., 223, 381-393.
14. Li, L., J. P. Brodholt, S. Stackhouse, D. J. Weidner, M. Alfredsson, and G. D. Price (2005a), Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle, Geophys. Res. Lett., 32, L17307, doi:10.1029/2005GL023045.
15. 3-Perovskite at high pressure, Earth Planet. Sci. Lett, 240, 529-536.
16. Lin, J.-F., V. V. Struzhkin, S. D. Jacobson, M. Y. Hu, P. Chow, J. Kung, H. Liu, H.-K. Mao, and R. J. Hemley (2005), Spin transition of iron in magnesiowüstite in the Earth's lower mantle, Nature, 436, 377-380.
17. Liu, L.-G. (1975), Post-oxide phases of olivine and pyroxene and minerology of the mantle, Nature, 258, 510-512.
18. Mao, W. L., et al. (2005), Iron-rich silicates in the Earth's D″ layer, Proc. Natl. Acad. Sci. U. S. A., 102, 9751-9753.
19. McCammon, C. (1997), Perovskite as a possible sink for ferric iron in the lower mantle, Nature, 387, 694-696.
20. Monkhorst, H. J., and J. D. Pack (1976), Special points for brillouin-zone integrations, Phys. Rev. B., 13, 5188-5192.
21. Murakami, M., K. Hirose, N. Sata, and Y. Ohishi (2005), Post-perovskite phase transition and mineral chemistry in the pyrolitic lowermost mantle, Geophys. Res. Lett., 32, L03304, doi:10.1029/2004GL021956.
22. Musgrave, M. J. P. (1970), Crystal Acoustics, Holden-Day, Boca Raton, Fla.
23. 3 and pyrolitic mantle composition, Earth Planet. Sci. Lett., 236, 914-932.
24. Perdew, J. P., J. A. Chevary, S. E. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais (1992), Atoms, molecules, solids, and surfaces - Applications of the generalized gradient approximation for exchange and correlation, Phys. Rev. B, 46, 6671-6687.
25. Rost, S,, E. J. Garneto, Q. Williams, and M. Manga (2005), Seismological constraints on a possible plume root at the core-mantle boundary, Nature, 435, 666-669.
26. 3, Earth Planet. Sci. Lett., 230, 1-10.
27. 3 end-members of the perovskite and post-perovskite phases, Geophys. Res., Lett., 33, L01304, doi:10.1029 /2005GL023887.
28. Wang, Y., and J. P. Perdew (1991), Correlation hole of the spin-polarized electron-gas, with exact small-wave-vector and high density scaling, Phys. Rev. B, 44, 13,298-13,307.
29. Wookey, J., S. Stackhouse, J.-M. Kendall, J. P. Brodholt, and G. D. Price (2005), Efficacy of post-perovskite as an explanation for lowermost-mantle seismic properties, Nature, 438, 1003-1007.