J. Badro, J. Rueff, G. Vanó, G. Monaco, G. Figuet et al., Electronic Transitions in Perovskite: Possible Nonconvecting Layers in the Lower Mantle, Electronic transitions in perovskite: possible nonconvecting layers in the lower mantle, pp.383-386, 2004.
DOI : 10.1126/science.1098840

URL : https://hal.archives-ouvertes.fr/hal-00087150

P. E. Bl?chl, Projector augmented-wave method, Physical Review B, vol.50, issue.24, pp.17953-17979, 1994.
DOI : 10.1103/PhysRevB.50.17953

R. Caracas and R. E. Cohen, Effect of chemistry on the stability and elasticity of the perovskite and post-perovskite phases in the MgSiO 3 -FeSiO 3 -Al 2 O 3 system and implications for the lowermost mantle, Geophys. Res. Lett, vol.32, 2005.

R. Caracas and R. E. Cohen, Theoretical determination of the Raman spectra of MgSiO 3 perovskite and post-perovskite at high pressure, Geophys. Res. Lett, vol.33, pp.12-17, 2006.

R. E. Cohen, perovskite, Geophysical Research Letters, vol.2, issue.10, pp.1053-1059, 1987.
DOI : 10.1029/GL014i010p01053

R. E. Cohn, I. I. Mazin, and D. G. Isaak, Magnetic Collapse in Transition Metal Oxides at High Pressure: Implications for the Earth, Science, vol.275, issue.5300, pp.654-657, 1997.
DOI : 10.1126/science.275.5300.654

D. Cyrannoski, Geophysics: Magical mantle tour, Nature, vol.65, issue.7088, pp.1108-1110, 2006.
DOI : 10.1038/4401108a

D. P. Dobson and J. P. Brodholt, Subducted banded iron formations as a source of ultralow-velocity zones at the core???mantle boundary, Nature, vol.97, issue.7031, pp.371-374, 2005.
DOI : 10.1046/j.1365-246x.1998.00424.x

T. S. Duffy, Earth science: Deeper understanding, Nature, vol.20, issue.6998, pp.409-410, 2004.
DOI : 10.1038/381409a0

A. M. Dziewonski and D. L. Anderson, Preliminary reference Earth model, Physics of the Earth and Planetary Interiors, vol.25, issue.4, pp.297-356, 1981.
DOI : 10.1016/0031-9201(81)90046-7

C. M. Fang and R. Ahuja, Structures and stability of ABO3 orthorhombic perovskites at the Earth's mantle conditions from first-principles theory, Physics of the Earth and Planetary Interiors, vol.157, issue.1-2, pp.1-7, 2006.
DOI : 10.1016/j.pepi.2006.02.007

F. Farges, F. Guyot, D. Andrault, and Y. Wang, Local-structure around Fe in Mg 0.9 Fe 0.10 SiO 3 perovskite-An X-ray-absorption spectroscopy study at Fe-edge, European Journal of Mineralogy, vol.6, pp.303-310, 1994.

Y. Fei, D. Virgo, B. O. Mysen, Y. Wang, and H. K. Mao, Temperaturedependent electron delocalization in (Mg,Fe)SiO 3 perovskite, Am. Miner, vol.79, pp.826-837, 1994.

G. R. Helffrich and B. J. &wood, The Earth's mantle, Nature, vol.287, issue.6846, 2001.
DOI : 10.1038/35087500

R. J. Hemley and R. E. Cohen, Silicate Perovskite, Annual Review of Earth and Planetary Sciences, vol.20, issue.1, pp.553-600, 1992.
DOI : 10.1146/annurev.ea.20.050192.003005

T. Iitaka, K. Hirose, K. Kawamura, and M. Murakami, The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle, Nature, vol.270, issue.6998, pp.442-445, 2004.
DOI : 10.1103/PhysRevB.65.012103

J. M. Jackson, W. Sturhahn, G. Y. Shen, J. Y. Zhao, M. Y. Hu et al., perovskite up to 120 GPa, American Mineralogist, vol.90, issue.1, pp.199-205, 2005.
DOI : 10.2138/am.2005.1633

S. Karato and M. V. , Core formation and chemical equilibrium in the Earth???I. Physical considerations, Physics of the Earth and Planetary Interiors, vol.100, issue.1-4, pp.61-79, 1997.
DOI : 10.1016/S0031-9201(96)03232-3

B. B. Karki, L. Stixrude, S. J. Clark, M. C. Warren, G. J. Ackland et al., perovskite at lower mantle pressures, American Mineralogist, vol.82, issue.5-6, pp.635-638, 1997.
DOI : 10.2138/am-1997-5-623

H. Keppler, C. A. Mccammon, and D. C. Rubie, Crystal-field and chargetransfer soectra of (Mg, Fe)SiO 3 perovskite, Am. Mineral, vol.79, pp.1215-1218, 1994.

R. E. Knittle and R. Jeanloz, Earth's Core-Mantle Boundary: Results of Experiments at High Pressures and Temperatures, Science, vol.251, issue.5000, pp.1438-1443, 1991.
DOI : 10.1126/science.251.5000.1438

G. Kresse and J. Hafner, Ab initio molecular dynamics for liquid metals, Journal of Non-Crystalline Solids, vol.192, issue.193, pp.558-561, 1993.
DOI : 10.1016/0022-3093(95)00355-X

G. Kresse and J. Hafner, molecular-dynamics simulation of the liquid-metal???amorphous-semiconductor transition in germanium, Physical Review B, vol.49, issue.20, pp.14251-14269, 1994.
DOI : 10.1103/PhysRevB.49.14251

G. Kresse and J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Computational Materials Science, vol.6, issue.1, pp.15-50, 1996.
DOI : 10.1016/0927-0256(96)00008-0

G. Kresse and J. Furthmüller, total-energy calculations using a plane-wave basis set, Physical Review B, vol.54, issue.16, pp.11169-11186, 1996.
DOI : 10.1103/PhysRevB.54.11169

G. Kresse and D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Physical Review B, vol.59, issue.3, pp.1758-1775, 1999.
DOI : 10.1103/PhysRevB.59.1758

J. Li, V. V. Struzhkin, H. Mao, J. F. Shu, R. J. Hemley et al., Electronic spin state of iron in lower mantle perovskite, Proceedings of the National Academy of Sciences, vol.101, issue.39, pp.14027-14030, 2004.
DOI : 10.1073/pnas.0405804101

W. L. Mao, Y. Meng, G. Y. Shen, V. B. Prakapenka, A. J. Campbell et al., Iron-rich silicates in the Earth's D'' layer, Proceedings of the National Academy of Sciences, vol.102, issue.28, pp.9751-9753, 2005.
DOI : 10.1073/pnas.0503737102

M. Matsui and G. D. Price, Simulation of the pre-melting behaviour of MgSiO3 perovskite at high pressures and temperatures, Nature, vol.351, issue.6329, pp.735-737, 1991.
DOI : 10.1038/351735a0

M. Murakami, K. Hirose, K. Kawamura, N. Sata, and Y. Ohishi, Post-Perovskite Phase Transition in MgSiO3, Science, vol.304, issue.5672, pp.855-858, 2004.
DOI : 10.1126/science.1095932

F. D. Murnaghan, The Compressibility of Media under Extreme Pressures, Proceedings of the National Academy of Sciences, vol.30, issue.9, pp.244-291, 1944.
DOI : 10.1073/pnas.30.9.244

A. R. Oganov and S. Ono, Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D??? layer, Nature, vol.91, issue.6998, pp.445-448, 2004.
DOI : 10.1016/S0927-0256(02)00325-7

S. Ono and Y. Ohishi, In situ X-ray observation of phase transformation in Fe2O3 at high pressures and high temperatures, Journal of Physics and Chemistry of Solids, vol.66, issue.10, pp.1714-1720, 2005.
DOI : 10.1016/j.jpcs.2005.06.010

J. P. Perdew, S. Burke, and M. Ernenrhof, Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.77, issue.18, p.3865, 1996.
DOI : 10.1103/PhysRevLett.77.3865

A. R. Ringwood and W. H. Hibberson, Solubility of mantle oxides in molten iron at high pressures and temperatures: implications for the composition and formation of Earth's core, Earth and Planetary Sci, Lett, vol.102, pp.235-251, 1991.

G. K. Rozenberg, L. S. Dubrovinsky, M. P. Pasternak, L. Bihan, T. Ahuja et al., High-pressure structural studies of hematite Fe 2 O 3 , Phys, 2002.

P. Sharma, A. Gupta, K. V. Rao, F. J. Ownes, R. Sharma et al., Ferromagnetism above room temperature in bulk and transparent thin films of Mn-doped ZnO, Nature Materials, vol.88, issue.10, pp.673-677, 2003.
DOI : 10.1038/nmat984

A. Seko, K. Yuge, F. Oba, A. Kuwabara, and I. Tanaka, First-principles study of cation disordering in MgAl 2 O 4 spinel with cluster expansion and Monte Carlo simulation, p.94116, 2006.

F. J. Spera, D. A. Yuen, and G. Giles, Tradeoffs in chemical and thermal variations in the post-perovskite phase transition: Mixed phase regions in the deep lower mantle?, Physics of the Earth and Planetary Interiors, vol.159, issue.3-4, pp.234-246, 2006.
DOI : 10.1016/j.pepi.2006.07.007

S. Stackhouse, J. P. Brodholt, and G. D. Prce, Electronic spin transitions in iron-bearing MgSiO3 perovskite, Earth and Planetary Science Letters, vol.253, issue.1-2, pp.282-290, 2007.
DOI : 10.1016/j.epsl.2006.10.035

L. Stixrude and R. E. Cohen, Stability of orthorhombic MgSiO3 perovskite in the Earth's lower mantle, Nature, vol.364, issue.6438, pp.613-615, 1993.
DOI : 10.1038/364613a0

H. Terasaki, D. J. Frost, D. C. Rubie, and L. , The effect of oxygen and sulphur on the dihedral angle between Fe-O-S and silicate minerals at high pressure: Implications for Martian core formation, Earth and Planetary Sci, Lett, vol.232, pp.379-392, 2005.

F. Zhang and A. R. Oganov, Valence state and spin transitions of iron in Earth's mantle silicates, Earth and Planetary Science Letters, vol.249, issue.3-4, pp.436-443, 2006.
DOI : 10.1016/j.epsl.2006.07.023