Phase Relations of Iron Carbides Fe2C, Fe3C, and Fe7C3 at the Earth’s Core Pressures and Temperatures-Reference-Cited by-同舟云学术

Phase Relations of Iron Carbides Fe2C, Fe3C, and Fe7C3 at the Earth’s Core Pressures and Temperatures

Published:2020-12-01 Issue:12 Volume:61 Page:1345-1353
ISSN:1068-7971
Container-title:Russian Geology and Geophysics
language:en
Short-container-title:

Author:

Sagatov N.E.¹²,Gavryushkin P.N.¹²,Medrish I.V.³⁴,Inerbaev T.M.¹⁵,Litasov K.D.⁶⁷

Affiliation:

1. V.S. Sobolev Institute of Geology and Mineralogy, Siberian Branch of the Russian Academy of Sciences, pr. Akademika Koptyuga 3, Novosibirsk, 630090, Russia

2. Novosibirsk State University, ul. Pirogova 1, Novosibirsk, 630090, Russia

3. International Research Center for Theoretical Materials Science, Samara State Technical University, ul. Molodogvardeiskaya 244, Samara, 443100, Russia

4. Samara Center for Theoretical Materials Science, Samara National Research University, ul. Akademika Pavlova 1, Samara, 443011, Russia

5. L.N. Gumilyov Eurasian National University, ul. Satbaeva 2, Astana, 010008, Kazakhstan

6. Vereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Kaluzhskoe sh. 14, Troitsk, Moscow, 108840, Russia

7. Fersman Mineralogical Museum, Russian Academy of Sciences, Leninskii pr. 18/2, Moscow, 119071, Russia

Abstract

Abstract —Based on first-principle calculations in the framework of the density functional theory and structure prediction algorithms, we have determined iron carbide phases stable at the Earth’s core pressures and temperatures. It is shown that Fe7C3 is unstable and decomposes into the mixture Fe2C + Fe3C over the entire range of pressures and temperatures specific to the Earth’s inner core. Subsequent decomposition of Fe3C into the mixture Fe + Fe2C is unfavorable. We also predict a new low-temperature modification Fe3C-C2/m-II dynamically and thermodynamically stable over the pressure range 290–305 GPa.

Publisher

GeoScienceWorld

Subject

Geology,Geophysics

Link

https://pubs.geoscienceworld.org/rgg/article-pdf/61/12/1345/5207271/rgg_02_dec2020.pdf

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