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

doi:10.1029/2005GL022802

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:

Sturhahn, Wolfgang ^[1]; Jackson, Jennifer M. ^[2]; Lin, Jung -Fu ^[3]

Argonne National Lab. (ANL), Lemont, IL (United States)
Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States)
Carnegie Institution of Washington, Washington, DC (United States)

Publication Date:: 2005-06-23

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.

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                    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.

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                    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.

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@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}

}

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DOI: 10.1029/2005GL022802

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Works referenced in this record:

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Kellogg, L. H.
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Compact high-temperature cell for Brillouin scattering measurements
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Works referencing / citing this record:

Quantum critical point and spin fluctuations in lower-mantle ferropericlase
journal, April 2013

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

Craco, L.; Faria, J. L. B.; Leoni, S.
Materials Research Express, Vol. 4, Issue 3
DOI: 10.1088/2053-1591/aa6296

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
DOI: 10.1029/2006gl028099

Spin Transition in Magnesiowüstite in Earth’s Lower Mantle
journal, May 2006

Tsuchiya, Taku; Wentzcovitch, Renata M.; da Silva, Cesar R. S.
Physical Review Letters, Vol. 96, Issue 19
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Pressure-induced electronic spin transition of iron in magnesiowustite- $(Mg, Fe) O$
journal, March 2006

Lin, Jung-Fu; Gavriliuk, Alexander G.; Struzhkin, Viktor V.
Physical Review B, Vol. 73, Issue 11
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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
Physics and Chemistry of Minerals, Vol. 36, Issue 10
DOI: 10.1007/s00269-009-0303-5

Siderite at lower mantle conditions and the effects of the pressure-induced spin-pairing transition
journal, January 2009

Lavina, B.; Dera, P.; Downs, R. T.
Geophysical Research Letters, Vol. 36, Issue 23
DOI: 10.1029/2009gl039652

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
DOI: 10.1029/2018gl077982

Laboratory Electrical Conductivity Measurement of Mantle Minerals
journal, November 2009

Yoshino, Takashi
Surveys in Geophysics, Vol. 31, Issue 2
DOI: 10.1007/s10712-009-9084-0

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

Kantor, I.; Dubrovinsky, L.; McCammon, C.
Physical Review B, Vol. 80, Issue 1
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Spin Crossover in Ferropericlase from First-Principles Molecular Dynamics
journal, March 2015

Holmström, E.; Stixrude, L.
Physical Review Letters, Vol. 114, Issue 11
DOI: 10.1103/physrevlett.114.117202

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

Abstract

Citation Formats

Iron Partitioning in Earth's Mantle: Toward a Deep Lower Mantle Discontinuity journal, April 2003

Electronic Transitions in Perovskite: Possible Nonconvecting Layers in the Lower Mantle journal, July 2004

Thermodynamic parameters in the Earth as determined from seismic profiles journal, September 1981

Magnetic Collapse in Transition Metal Oxides at High Pressure: Implications for the Earth journal, January 1997

High-temperature thermal expansion of lime, periclase, corundum and spinel journal, December 1999

A synchrotron Mössbauer spectroscopy study of (Mg,Fe)SiO 3 perovskite up to 120 GPa journal, January 2005

Compositional Stratification in the Deep Mantle journal, March 1999

Elasticity of (Mg 0.83 ,Fe 0.17 )O ferropericlase at high pressure: ultrasonic measurements in conjunction with X-radiation techniques journal, October 2002

Electronic spin state of iron in lower mantle perovskite journal, September 2004

Perovskite as a possible sink for ferric iron in the lower mantle journal, June 1997

Low ferric iron content of (Mg,Fe)O at high pressures and temperatures journal, May 1998

Post-Perovskite Phase Transition in MgSiO3 journal, May 2004

Effective ionic radii in oxides and fluorides journal, May 1969

The high-pressure electronic structure of magnesiowustite (Mg, Fe)O: Applications to the physics and chemistry of the lower mantle journal, August 1991

Compact high-temperature cell for Brillouin scattering measurements journal, January 2000

Quasi-hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure-volume-temperature equation of state journal, January 2001

Probabilistic Tomography Maps Chemical Heterogeneities Throughout the Lower Mantle journal, October 2004

Compositional Heterogeneity in the Bottom 1000 Kilometers of Earth's Mantle: Toward a Hybrid Convection Model journal, March 1999

Quantum critical point and spin fluctuations in lower-mantle ferropericlase journal, April 2013

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

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

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

Deformation of lower-mantle ferropericlase (Mg,Fe)O across the electronic spin transition journal, April 2009

Siderite at lower mantle conditions and the effects of the pressure-induced spin-pairing transition journal, January 2009

Elastic Softening of (Mg 0.8 Fe 0.2 )O Ferropericlase Across the Iron Spin Crossover Measured at Seismic Frequencies journal, July 2018

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

Iron Partitioning in Earth's Mantle: Toward a Deep Lower Mantle Discontinuity
journal, April 2003

Electronic Transitions in Perovskite: Possible Nonconvecting Layers in the Lower Mantle
journal, July 2004

Thermodynamic parameters in the Earth as determined from seismic profiles
journal, September 1981

Magnetic Collapse in Transition Metal Oxides at High Pressure: Implications for the Earth
journal, January 1997

High-temperature thermal expansion of lime, periclase, corundum and spinel
journal, December 1999

A synchrotron Mössbauer spectroscopy study of (Mg,Fe)SiO ₃ perovskite up to 120 GPa
journal, January 2005

Compositional Stratification in the Deep Mantle
journal, March 1999

Elasticity of (Mg 0.83 ,Fe 0.17 )O ferropericlase at high pressure: ultrasonic measurements in conjunction with X-radiation techniques
journal, October 2002

Electronic spin state of iron in lower mantle perovskite
journal, September 2004

Perovskite as a possible sink for ferric iron in the lower mantle
journal, June 1997

Low ferric iron content of (Mg,Fe)O at high pressures and temperatures
journal, May 1998

Post-Perovskite Phase Transition in MgSiO3
journal, May 2004

Effective ionic radii in oxides and fluorides
journal, May 1969

The high-pressure electronic structure of magnesiowustite (Mg, Fe)O: Applications to the physics and chemistry of the lower mantle
journal, August 1991

Compact high-temperature cell for Brillouin scattering measurements
journal, January 2000

Quasi-hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure-volume-temperature equation of state
journal, January 2001

Probabilistic Tomography Maps Chemical Heterogeneities Throughout the Lower Mantle
journal, October 2004

Compositional Heterogeneity in the Bottom 1000 Kilometers of Earth's Mantle: Toward a Hybrid Convection Model
journal, March 1999

Quantum critical point and spin fluctuations in lower-mantle ferropericlase
journal, April 2013

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

Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory
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Sound velocities of ferropericlase in the Earth's lower mantle
journal, January 2006

Spin Transition in Magnesiowüstite in Earth’s Lower Mantle
journal, May 2006

Pressure-induced electronic spin transition of iron in magnesiowustite- $(Mg, Fe) O$
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Deformation of lower-mantle ferropericlase (Mg,Fe)O across the electronic spin transition
journal, April 2009

Siderite at lower mantle conditions and the effects of the pressure-induced spin-pairing transition
journal, January 2009

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