Ab initiothermodynamics of MgSiO3 perovskite at high pressures and temperatures
Artem R. Oganov
1
,
G. David Price
2
Publication type: Journal Article
Publication date: 2005-03-22
scimago Q1
wos Q2
SJR: 0.819
CiteScore: 5.3
Impact factor: 3.1
ISSN: 00219606, 10897690
PubMed ID:
15836391
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Using quantum-mechanical simulations based on density-functional perturbation theory, we address the problem of stability of MgSiO3 perovskite to decomposition into MgO and SiO2 at pressures and temperatures of the Earth’s lower mantle. We show that MgSiO3 perovskite (and its post-perovskite phase) is more stable than the mixture of oxides throughout the pressure-temperature regime of the Earth’s mantle. Structural stability and lattice dynamics of phases in the system MgO-SiO2 are discussed.
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Total citations:
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Citations from 2024:
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(15%)
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GOST
Copy
Oganov A. R., Price G. D. Ab initiothermodynamics of MgSiO3 perovskite at high pressures and temperatures // Journal of Chemical Physics. 2005. Vol. 122. No. 12. p. 124501.
GOST all authors (up to 50)
Copy
Oganov A. R., Price G. D. Ab initiothermodynamics of MgSiO3 perovskite at high pressures and temperatures // Journal of Chemical Physics. 2005. Vol. 122. No. 12. p. 124501.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1063/1.1869973
UR - https://doi.org/10.1063/1.1869973
TI - Ab initiothermodynamics of MgSiO3 perovskite at high pressures and temperatures
T2 - Journal of Chemical Physics
AU - Oganov, Artem R.
AU - Price, G. David
PY - 2005
DA - 2005/03/22
PB - AIP Publishing
SP - 124501
IS - 12
VL - 122
PMID - 15836391
SN - 0021-9606
SN - 1089-7690
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2005_Oganov,
author = {Artem R. Oganov and G. David Price},
title = {Ab initiothermodynamics of MgSiO3 perovskite at high pressures and temperatures},
journal = {Journal of Chemical Physics},
year = {2005},
volume = {122},
publisher = {AIP Publishing},
month = {mar},
url = {https://doi.org/10.1063/1.1869973},
number = {12},
pages = {124501},
doi = {10.1063/1.1869973}
}
Cite this
MLA
Copy
Oganov, Artem R., and G. David Price. “Ab initiothermodynamics of MgSiO3 perovskite at high pressures and temperatures.” Journal of Chemical Physics, vol. 122, no. 12, Mar. 2005, p. 124501. https://doi.org/10.1063/1.1869973.
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