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Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer
Open accessAbstract
The Earth's lower mantle is believed to be composed mainly of (Mg,Fe)SiO3 perovskite, with lesser amounts of (Mg,Fe)O and CaSiO3 (ref. 1). But it has not been possible to explain many unusual properties of the lowermost ∼150 km of the mantle (the D″ layer) with this mineralogy. Here, using ab initio simulations and high-pressure experiments, we show that at pressures and temperatures of the D″ layer, MgSiO3 transforms from perovskite into a layered CaIrO3-type post-perovskite phase. The elastic properties of the post-perovskite phase and its stability field explain several observed puzzling properties of the D″ layer: its seismic anisotropy, the strongly undulating shear-wave discontinuity at its top and possibly the anticorrelation between shear and bulk sound velocities.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
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Wang, Y., Lv, J., Zhu, L., & Ma, Y. (2010) · Physical Review B · doi:10.1103/physrevb.82.094116 · Cited by 2,747
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
Oganov, A. R., & Glass, C. W. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2210932 · Cited by 2,596
Introduction to Numerical Geodynamic Modelling
Gerya, T. (2009) · Cambridge University Press eBooks · doi:10.1017/cbo9780511809101 · Cited by 461
Maruyama, S., Santosh, M., & Zhao, D. (2007) · Gondwana Research · doi:10.1016/j.gr.2006.06.003 · Cited by 444
Fukao, Y., Obayashi, M., Nakakuki, T., & the Deep Slab Project Group (2009) · Annual Review of Earth and Planetary Sciences · doi:10.1146/annurev.earth.36.031207.124224 · Cited by 386
Metadata
- Authors
- Oganov, A. R., & Ono, S.
- Venue
- Nature
- Published
- 2004-07
- Volume
- 430
- Issue
- 6998
- Pages
- 445-448
- ISSN
- 0028-0836 (ISSN-L)
- 1476-4687
- OpenAlex
- W1970101802
- Cited by
- 1,000
- References
- 3
- FWCI
- 62.84
- Type
- journal article
- Language
- en
- Open access
- green
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