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Equations of State of Solid CO2 Phases at Megabar Pressures. / Litasov, K. D.; Brazhkin, V. V.; Sagatov, N. E. et al.

In: JETP Letters, Vol. 119, No. 3, 02.2024, p. 205-210.

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Litasov KD, Brazhkin VV, Sagatov NE, Inerbaev TM. Equations of State of Solid CO2 Phases at Megabar Pressures. JETP Letters. 2024 Feb;119(3):205-210. doi: 10.1134/S0021364023604165

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Litasov, K. D. ; Brazhkin, V. V. ; Sagatov, N. E. et al. / Equations of State of Solid CO2 Phases at Megabar Pressures. In: JETP Letters. 2024 ; Vol. 119, No. 3. pp. 205-210.

BibTeX

@article{39846c4aeda54df29d1045b15dc1a44e,
title = "Equations of State of Solid CO2 Phases at Megabar Pressures",
abstract = "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.",
author = "Litasov, {K. D.} and Brazhkin, {V. V.} and Sagatov, {N. E.} and Inerbaev, {T. M.}",
note = "This study was supported by the National Center for Physics and Mathematics (research program “Investigations in Strong and Superstrong Magnetic Fields”).",
year = "2024",
month = feb,
doi = "10.1134/S0021364023604165",
language = "English",
volume = "119",
pages = "205--210",
journal = "JETP Letters",
issn = "0021-3640",
publisher = "MAIK NAUKA/INTERPERIODICA/SPRINGER",
number = "3",

}

RIS

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