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First-principles calculations of the equations of state and relative stability of iron carbides at the Earth's core pressures

Описание

Тип публикации: статья из журнала

Год издания: 2015

Идентификатор DOI: 10.1016/j.rgg.2015.01.010

Ключевые слова: iron carbide, Earth's core, first-principles calculations, density, bulk modulus, magnetic moment, Bulk modulus, Density, Earth's core, First-principles calculations, Iron carbide, Magnetic moment, bulk modulus, equation of state, experimental study, inner core, magnetic field, numerical model, P-T conditions, pressure field

Аннотация: Recent experimental studies have demonstrated that Fe3C is more stable than Fe7C3 under PT-conditions of the Earth's core. Theoretical calculations at 0 K, in turn, show the possible stability of Fe2C at the core pressures. Therefore, a theoretical modeling of iron carbides at 100 GPa, Fe2C loses its magnetic moment. Assuming carbПоказать полностьюon to be the only light element in the system, the first-principles calculations yield 2.7-2.9 and 2.0-2.2 wt.% C at the boundary of the inner core at 5000 and 7000 K, respectively. (C) 2015, V.S. Sobolev IGM, Siberian Branch of the RAS. Published by Elsevier B.V. All rights reserved.

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Издание

Журнал: RUSSIAN GEOLOGY AND GEOPHYSICS

Выпуск журнала: Vol. 56, Is. 01.02.2017

Номера страниц: 164-171

ISSN журнала: 10687971

Место издания: AMSTERDAM

Издатель: ELSEVIER SCIENCE BV

Авторы

  • Litasov K.D. (Novosibirsk State University)
  • Gavryushkin P.N. (Novosibirsk State University)
  • Popov Z.I. (L.V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences)
  • Ovchinnikov S.G. (Siberian Federal University)
  • Fedorov A.S. (Siberian Federal University)

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