volume 71 issue 6 publication number 064104

Structural stability of silica at high pressures and temperatures

Publication typeJournal Article
Publication date2005-02-17
scimago Q1
wos Q2
SJR1.303
CiteScore6.2
Impact factor3.7
ISSN24699950, 24699969, 10980121, 1550235X
Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Abstract
The high-pressure phase diagram of SiO2 has been calculated using density-functional perturbation theory. We find that phase transitions of silica do not correspond to any observed seismic discontinuities within the Earth. We analyze the breakdown of close packing occurring in SiO2 above 200 GPa and conclude that it is due to asphericity and deformability of ions, which can generally lead to the formation on non-close-packed structures at high pressure. Our calculations indicate that pyrite-structured SiO2, stable above 200 GPa, has no soft modes down to ambient pressure and could, therefore, be quenchable. Above 750 GPa a cotunnite-type phase is stable.
Found 
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Oganov A. R. et al. Structural stability of silica at high pressures and temperatures // Physical Review B. 2005. Vol. 71. No. 6. 064104
GOST all authors (up to 50) Copy
Oganov A. R., Gillan M. J., Gillan M., Price G. D. Structural stability of silica at high pressures and temperatures // Physical Review B. 2005. Vol. 71. No. 6. 064104
RIS |
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RIS Copy
TY - JOUR
DO - 10.1103/PhysRevB.71.064104
UR - https://doi.org/10.1103/PhysRevB.71.064104
TI - Structural stability of silica at high pressures and temperatures
T2 - Physical Review B
AU - Oganov, Artem R.
AU - Gillan, Michael J.
AU - Gillan, Michael
AU - Price, G. David
PY - 2005
DA - 2005/02/17
PB - American Physical Society (APS)
IS - 6
VL - 71
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
BibTex
Cite this
BibTex (up to 50 authors) Copy
@article{2005_Oganov,
author = {Artem R. Oganov and Michael J. Gillan and Michael Gillan and G. David Price},
title = {Structural stability of silica at high pressures and temperatures},
journal = {Physical Review B},
year = {2005},
volume = {71},
publisher = {American Physical Society (APS)},
month = {feb},
url = {https://doi.org/10.1103/PhysRevB.71.064104},
number = {6},
pages = {064104},
doi = {10.1103/PhysRevB.71.064104}
}
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