Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Equations of State of Solid CO2 Phases at Megabar Pressures. / Litasov, K. D.; Brazhkin, V. V.; Sagatov, N. E. и др.
в: JETP Letters, Том 119, № 3, 02.2024, стр. 205-210.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Equations of State of Solid CO2 Phases at Megabar Pressures
AU - Litasov, K. D.
AU - Brazhkin, V. V.
AU - Sagatov, N. E.
AU - Inerbaev, T. M.
N1 - This study was supported by the National Center for Physics and Mathematics (research program “Investigations in Strong and Superstrong Magnetic Fields”).
PY - 2024/2
Y1 - 2024/2
N2 - The stability of CO2 phases at pressures up to 1600 GPa is confirmed using evolution methods for predicting crystal structures. Stable CO2 phases are as follows: (to 279 GPa), (279–952 GPa), Pbcn (952–1018 GPa), and (above 1018 GPa). The equations of state for stable CO2 phases up to pressures of about 1600 GPa are calculated for the first time using ab initio methods and high-temperature calculations within the quasi-harmonic approximation. It is shown that high-pressure,, and phases have rather high bulk moduli (290–415 GPa). Phases with sixfold coordination of carbon atoms (Pbcn and) have higher coefficients of thermal expansion in comparison with the phase.
AB - The stability of CO2 phases at pressures up to 1600 GPa is confirmed using evolution methods for predicting crystal structures. Stable CO2 phases are as follows: (to 279 GPa), (279–952 GPa), Pbcn (952–1018 GPa), and (above 1018 GPa). The equations of state for stable CO2 phases up to pressures of about 1600 GPa are calculated for the first time using ab initio methods and high-temperature calculations within the quasi-harmonic approximation. It is shown that high-pressure,, and phases have rather high bulk moduli (290–415 GPa). Phases with sixfold coordination of carbon atoms (Pbcn and) have higher coefficients of thermal expansion in comparison with the phase.
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85188560547&origin=inward&txGid=7ddbdfae930d6694f0725ab8fc53d480
UR - https://www.webofscience.com/wos/woscc/full-record/WOS:001189119600006
UR - https://www.mendeley.com/catalogue/439ddd88-5310-3536-a564-2bf46371a4ca/
U2 - 10.1134/S0021364023604165
DO - 10.1134/S0021364023604165
M3 - Article
VL - 119
SP - 205
EP - 210
JO - JETP Letters
JF - JETP Letters
SN - 0021-3640
IS - 3
ER -
ID: 61202725