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Title: The spin state of iron in minerals of Earth's lower mantle

Abstract

Here, the spin state of Fe(II) and Fe(III) at temperatures and pressures typical for the Earth's lower mantle is discussed. We predict an extended high-spin to low-spin crossover region along the geotherm for Fe-dilute systems depending on crystal-field splitting, pairing energy, and cooperative interactions. In particular, spin transitions in ferromagnesium silicate perovskite and ferropericlase, the dominant lower mantle components, should occur in a wide temperature-pressure range. We also derive a gradual volume change associated with such transitions in the lower mantle. The gradual density changes and the wide spin crossover regions seem incompatible with lower mantle stratification resulting from a spin transition.

Authors:
 [1];  [2];  [3]
  1. Argonne National Lab. (ANL), Lemont, IL (United States)
  2. Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States)
  3. Carnegie Institution of Washington, Washington, DC (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE
OSTI Identifier:
898678
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Geophysical Research Letters
Additional Journal Information:
Journal Volume: 32; Journal Issue: 12; Journal ID: ISSN 0094-8276
Publisher:
American Geophysical Union
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; IRON; SPIN; EARTH MANTLE; MINERALS; advanced photon source

Citation Formats

Sturhahn, Wolfgang, Jackson, Jennifer M., and Lin, Jung -Fu. The spin state of iron in minerals of Earth's lower mantle. United States: N. p., 2005. Web. doi:10.1029/2005GL022802.
Sturhahn, Wolfgang, Jackson, Jennifer M., & Lin, Jung -Fu. The spin state of iron in minerals of Earth's lower mantle. United States. doi:10.1029/2005GL022802.
Sturhahn, Wolfgang, Jackson, Jennifer M., and Lin, Jung -Fu. Thu . "The spin state of iron in minerals of Earth's lower mantle". United States. doi:10.1029/2005GL022802. https://www.osti.gov/servlets/purl/898678.
@article{osti_898678,
title = {The spin state of iron in minerals of Earth's lower mantle},
author = {Sturhahn, Wolfgang and Jackson, Jennifer M. and Lin, Jung -Fu},
abstractNote = {Here, the spin state of Fe(II) and Fe(III) at temperatures and pressures typical for the Earth's lower mantle is discussed. We predict an extended high-spin to low-spin crossover region along the geotherm for Fe-dilute systems depending on crystal-field splitting, pairing energy, and cooperative interactions. In particular, spin transitions in ferromagnesium silicate perovskite and ferropericlase, the dominant lower mantle components, should occur in a wide temperature-pressure range. We also derive a gradual volume change associated with such transitions in the lower mantle. The gradual density changes and the wide spin crossover regions seem incompatible with lower mantle stratification resulting from a spin transition.},
doi = {10.1029/2005GL022802},
journal = {Geophysical Research Letters},
number = 12,
volume = 32,
place = {United States},
year = {2005},
month = {6}
}

Journal Article:
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Cited by: 80 works
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    Quantum critical point and spin fluctuations in lower-mantle ferropericlase
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    • Lyubutin, I. S.; Struzhkin, V. V.; Mironovich, A. A.
    • Proceedings of the National Academy of Sciences, Vol. 110, Issue 18
    • DOI: 10.1073/pnas.1304827110

    Compression of a multiphase mantle assemblage: Effects of undesirable stress and stress annealing on the iron spin state crossover in ferropericlase: Stresses and HS-LS Crossover in (Mg,Fe)O
    journal, May 2016

    • Glazyrin, Konstantin; Miyajima, Nobuyoshi; Smith, Jesse S.
    • Journal of Geophysical Research: Solid Earth, Vol. 121, Issue 5
    • DOI: 10.1002/2015jb012321

    Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory
    journal, March 2017


    Sound velocities of ferropericlase in the Earth's lower mantle
    journal, January 2006

    • Lin, Jung-Fu; Jacobsen, Steven D.; Sturhahn, Wolfgang
    • Geophysical Research Letters, Vol. 33, Issue 22
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    Spin Transition in Magnesiowüstite in Earth’s Lower Mantle
    journal, May 2006


    Pressure-induced electronic spin transition of iron in magnesiowustite- ( Mg , Fe ) O
    journal, March 2006

    • Lin, Jung-Fu; Gavriliuk, Alexander G.; Struzhkin, Viktor V.
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    Deformation of lower-mantle ferropericlase (Mg,Fe)O across the electronic spin transition
    journal, April 2009

    • Lin, Jung-Fu; Wenk, Hans-Rudolf; Voltolini, Marco
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    Siderite at lower mantle conditions and the effects of the pressure-induced spin-pairing transition
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    Elastic Softening of (Mg 0.8 Fe 0.2 )O Ferropericlase Across the Iron Spin Crossover Measured at Seismic Frequencies
    journal, July 2018

    • Marquardt, H.; Buchen, J.; Mendez, A. S. J.
    • Geophysical Research Letters, Vol. 45, Issue 14
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    Laboratory Electrical Conductivity Measurement of Mantle Minerals
    journal, November 2009


    Short-range order and Fe clustering in Mg 1 x Fe x O under high pressure
    journal, July 2009


    Spin Crossover in Ferropericlase from First-Principles Molecular Dynamics
    journal, March 2015