Equations of State of Solid CO2 Phases at Megabar Pressures
Litasov K.D. Brazhkin V.V. Sagatov N.E. Inerbaev T.M.
February 2024Pleiades Publishing
JETP Letters
2024#119Issue 3205 - 210 pp.
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.
Text of the article Перейти на текст статьи
Vereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation
Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Gumilyov Eurasian National University, Astana, 010008, Kazakhstan
Vereshchagin Institute for High Pressure Physics
Novosibirsk State University
Gumilyov Eurasian National University
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026