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Dynamical stability of Fe-H in the Earth's mantle and core regions
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Condensed Matter Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Condensed Matter Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Condensed Matter Theory.
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2007 (English)In: Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, E-ISSN 1091-6490, Vol. 104, no 22, 9168-9171 p.Article in journal (Refereed) Published
Abstract [en]

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp -> hcp -> fcc sequence of structural transitions.

Place, publisher, year, edition, pages
2007. Vol. 104, no 22, 9168-9171 p.
Keyword [en]
high pressure, iron hydride, phonons and phase transition, solid Earth, sound velocity
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-145288DOI: 10.1073/pnas.0609701104ISI: 000246935700016OAI: oai:DiVA.org:uu-145288DiVA: diva2:396121
Available from: 2011-02-08 Created: 2011-02-08 Last updated: 2017-12-11Bibliographically approved

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Skorodumova, Natalia V.Ahuja, RajeevJohansson, Börje

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