skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones

Abstract

Ultralow-velocity zones (ULVZs) at Earth’s core–mantle boundary region have important implications for the chemical composition and thermal structure of our planet, but their origin has long been debated. Hydrogen-bearing iron peroxide (FeO 2H x) in the pyrite-type crystal structure was recently found to be stable under the conditions of the lowermost mantle. Using high-pressure experiments and theoretical calculations, we find that iron peroxide with a varying amount of hydrogen has a high density and high Poisson ratio as well as extremely low sound velocities consistent with ULVZs. Here in this paper we also report a reaction between iron and water at 86 gigapascals and 2,200 kelvin that produces FeO 2H x. This would provide a mechanism for generating the observed volume occupied by ULVZs through the reaction of about one-tenth the mass of Earth’s ocean water in subducted hydrous minerals with the effectively unlimited reservoir of iron in Earth’s core. Unlike other candidates for the composition of ULVZs, FeO 2H x synthesized from the superoxidation of iron by water would not require an extra transportation mechanism to migrate to the core–mantle boundary. These dense FeO2Hx-rich domains would be expected to form directly in the core–mantle boundary region and their propertiesmore » would provide an explanation for the many enigmatic seismic features that are observed in ULVZs« less

Authors:
 [1];  [2];  [3];  [4];  [4];  [5];  [5];  [5];  [6];  [7];  [8]
  1. Stanford Univ., CA (United States). Dept. of Geological Sciences
  2. Stanford Univ., CA (United States). Dept. of Geological Sciences; Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
  3. Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
  4. Univ. of Science and Technology of China, Hefei (China). Lab. of Seismology and Physics of Earth's Interior, School of Earth and Space Sciences
  5. Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab.
  6. Univ. of Chicago, IL (United States). Center for Advanced Radiation Sources
  7. Center for High Pressure Science and Technology Advanced Research, Shanghai (China); Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab.
  8. Stanford Univ., CA (United States). Dept. of Geological Sciences; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1423460
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Nature (London)
Additional Journal Information:
Journal Name: Nature (London); Journal Volume: 551; Journal Issue: 7681; Journal ID: ISSN 0028-0836
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; Geophysics; Mineralogy

Citation Formats

Liu, Jin, Hu, Qingyang, Young Kim, Duck, Wu, Zhongqing, Wang, Wenzhong, Xiao, Yuming, Chow, Paul, Meng, Yue, Prakapenka, Vitali B., Mao, Ho-Kwang, and Mao, Wendy L. Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones. United States: N. p., 2017. Web. doi:10.1038/nature24461.
Liu, Jin, Hu, Qingyang, Young Kim, Duck, Wu, Zhongqing, Wang, Wenzhong, Xiao, Yuming, Chow, Paul, Meng, Yue, Prakapenka, Vitali B., Mao, Ho-Kwang, & Mao, Wendy L. Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones. United States. doi:10.1038/nature24461.
Liu, Jin, Hu, Qingyang, Young Kim, Duck, Wu, Zhongqing, Wang, Wenzhong, Xiao, Yuming, Chow, Paul, Meng, Yue, Prakapenka, Vitali B., Mao, Ho-Kwang, and Mao, Wendy L. Wed . "Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones". United States. doi:10.1038/nature24461. https://www.osti.gov/servlets/purl/1423460.
@article{osti_1423460,
title = {Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones},
author = {Liu, Jin and Hu, Qingyang and Young Kim, Duck and Wu, Zhongqing and Wang, Wenzhong and Xiao, Yuming and Chow, Paul and Meng, Yue and Prakapenka, Vitali B. and Mao, Ho-Kwang and Mao, Wendy L.},
abstractNote = {Ultralow-velocity zones (ULVZs) at Earth’s core–mantle boundary region have important implications for the chemical composition and thermal structure of our planet, but their origin has long been debated. Hydrogen-bearing iron peroxide (FeO2Hx) in the pyrite-type crystal structure was recently found to be stable under the conditions of the lowermost mantle. Using high-pressure experiments and theoretical calculations, we find that iron peroxide with a varying amount of hydrogen has a high density and high Poisson ratio as well as extremely low sound velocities consistent with ULVZs. Here in this paper we also report a reaction between iron and water at 86 gigapascals and 2,200 kelvin that produces FeO2Hx. This would provide a mechanism for generating the observed volume occupied by ULVZs through the reaction of about one-tenth the mass of Earth’s ocean water in subducted hydrous minerals with the effectively unlimited reservoir of iron in Earth’s core. Unlike other candidates for the composition of ULVZs, FeO2Hx synthesized from the superoxidation of iron by water would not require an extra transportation mechanism to migrate to the core–mantle boundary. These dense FeO2Hx-rich domains would be expected to form directly in the core–mantle boundary region and their properties would provide an explanation for the many enigmatic seismic features that are observed in ULVZs},
doi = {10.1038/nature24461},
journal = {Nature (London)},
number = 7681,
volume = 551,
place = {United States},
year = {2017},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 32 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Evidence for primordial water in Earth’s deep mantle
journal, November 2015


The laser micro-machining system for diamond anvil cell experiments and general precision machining applications at the High Pressure Collaborative Access Team
journal, July 2015

  • Hrubiak, Rostislav; Sinogeikin, Stanislav; Rod, Eric
  • Review of Scientific Instruments, Vol. 86, Issue 7
  • DOI: 10.1063/1.4926889

The difficulty for subducted oceanic crust to accumulate at the Earth's core-mantle boundary: DIFFICULTY FOR MORB TO ACCUMULATE AT CMB
journal, April 2013

  • Li, Mingming; McNamara, Allen K.
  • Journal of Geophysical Research: Solid Earth, Vol. 118, Issue 4
  • DOI: 10.1002/jgrb.50156

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

X-ray diffraction and Mössbauer spectroscopy study of fcc iron hydride FeH at high pressures and implications for the composition of the Earth's core
journal, July 2011

  • Narygina, Olga; Dubrovinsky, Leonid S.; McCammon, Catherine A.
  • Earth and Planetary Science Letters, Vol. 307, Issue 3-4
  • DOI: 10.1016/j.epsl.2011.05.015

Efficient pseudopotentials for plane-wave calculations. II. Operators for fast iterative diagonalization
journal, April 1991


Projector augmented-wave method
journal, December 1994


Iron isotopic fractionation between silicate mantle and metallic core at high pressure
journal, February 2017

  • Liu, Jin; Dauphas, Nicolas; Roskosz, Mathieu
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14377

Dehydrogenation of goethite in Earth’s deep lower mantle
journal, January 2017

  • Hu, Qingyang; Kim, Duck Young; Liu, Jin
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 7
  • DOI: 10.1073/pnas.1620644114

Hydrogenation of iron in the early stage of Earth’s evolution
journal, January 2017

  • Iizuka-Oku, Riko; Yagi, Takehiko; Gotou, Hirotada
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14096

FeO2 and FeOOH under deep lower-mantle conditions and Earth’s oxygen–hydrogen cycles
journal, June 2016

  • Hu, Qingyang; Kim, Duck Young; Yang, Wenge
  • Nature, Vol. 534, Issue 7606
  • DOI: 10.1038/nature18018

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Toward an internally consistent pressure scale
journal, May 2007

  • Fei, Y.; Ricolleau, A.; Frank, M.
  • Proceedings of the National Academy of Sciences, Vol. 104, Issue 22
  • DOI: 10.1073/pnas.0609013104

Quasiharmonic thermal elasticity of crystals: An analytical approach
journal, May 2011


Lattice dynamics calculations for ferropericlase with internally consistent LDA+ U method : LATTICE DYNAMICS OF FERROPERICLASE
journal, December 2012

  • Fukui, Hiroshi; Tsuchiya, Taku; Baron, Alfred Q. R.
  • Journal of Geophysical Research: Solid Earth, Vol. 117, Issue B12
  • DOI: 10.1029/2012JB009591

Evidence for partial melt at the core–mantle boundary north of Tonga from the strong scattering of seismic waves
journal, February 1998

  • Vidale, John E.; Hedlin, Michael A. H.
  • Nature, Vol. 391, Issue 6668
  • DOI: 10.1038/35601

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

New developments in laser-heated diamond anvil cell with in situ synchrotron x-ray diffraction at High Pressure Collaborative Access Team
journal, July 2015

  • Meng, Yue; Hrubiak, Rostislav; Rod, Eric
  • Review of Scientific Instruments, Vol. 86, Issue 7
  • DOI: 10.1063/1.4926895

Origins of ultralow velocity zones through slab-derived metallic melt
journal, May 2016

  • Liu, Jiachao; Li, Jie; Hrubiak, Rostislav
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 20
  • DOI: 10.1073/pnas.1519540113

PHON: A program to calculate phonons using the small displacement method
journal, December 2009


Seismic detection of a thin laterally varying boundary layer at the base of the mantle beneath the central-Pacific
journal, May 1996

  • Garnero, Edward J.; Helmberger, Donald V.
  • Geophysical Research Letters, Vol. 23, Issue 9
  • DOI: 10.1029/95GL03603

Stable magnesium peroxide at high pressure
journal, September 2015

  • Lobanov, Sergey S.; Zhu, Qiang; Holtgrewe, Nicholas
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep13582

Pressure calibration of diamond anvil Raman gauge to 410 GPa
journal, March 2010


Inferences on ultralow-velocity zone structure from a global analysis of SPdKS waves : GLOBAL ULVZ STRUCTURE
journal, August 2004

  • Thorne, Michael S.; Garnero, Edward J.
  • Journal of Geophysical Research: Solid Earth, Vol. 109, Issue B8
  • DOI: 10.1029/2004JB003010

Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
journal, January 2005


Tracking deep mantle reservoirs with ultra-low velocity zones
journal, October 2010

  • McNamara, Allen K.; Garnero, Edward J.; Rost, Sebastian
  • Earth and Planetary Science Letters, Vol. 299, Issue 1-2
  • DOI: 10.1016/j.epsl.2010.07.042

Fluid Processes in Subduction Zones
journal, April 1990


Second-order elastic constants of a solid under stress
journal, March 1965


Seismic Evidence for Partial Melt at the Base of Earth's Mantle
journal, September 1996


Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations
journal, May 1990


Mega ultra low velocity zone and mantle flow
journal, February 2013

  • Thorne, Michael S.; Garnero, Edward J.; Jahnke, Gunnar
  • Earth and Planetary Science Letters, Vol. 364
  • DOI: 10.1016/j.epsl.2012.12.034

Iron-Rich Post-Perovskite and the Origin of Ultralow-Velocity Zones
journal, April 2006


Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium
journal, September 2008


Sediments at the Top of Earth's Core
journal, November 2000


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


First principles phonon calculations in materials science
journal, November 2015


Ab initio investigation on the high-temperature thermodynamic properties of Fe 3+ -bearing MgSiO 3 perovskite : THERMODYNAMICS OF Fe
journal, January 2013

  • Tsuchiya, Taku; Wang, Xianlong
  • Journal of Geophysical Research: Solid Earth, Vol. 118, Issue 1
  • DOI: 10.1029/2012JB009696

Subducted banded iron formations as a source of ultralow-velocity zones at the core–mantle boundary
journal, March 2005


Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991

  • Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
  • Physical Review B, Vol. 44, Issue 3, p. 943-954
  • DOI: 10.1103/PhysRevB.44.943

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992


Preliminary reference Earth model
journal, June 1981


Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure
journal, September 2016

  • Sinmyo, Ryosuke; Bykova, Elena; Ovsyannikov, Sergey V.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep32852

Metal-insulator transition and the role of electron correlation in FeO 2
journal, February 2017


The pyrite-type high-pressure form of FeOOH
journal, July 2017

  • Nishi, Masayuki; Kuwayama, Yasuhiro; Tsuchiya, Jun
  • Nature, Vol. 547, Issue 7662
  • DOI: 10.1038/nature22823

Melting of Iron at Earth's Inner Core Boundary Based on Fast X-ray Diffraction
journal, April 2013


Continent-sized anomalous zones with low seismic velocity at the base of Earth's mantle
journal, June 2016

  • Garnero, Edward J.; McNamara, Allen K.; Shim, Sang-Heon
  • Nature Geoscience, Vol. 9, Issue 7
  • DOI: 10.1038/ngeo2733

Very low sound velocities in iron-rich (Mg,Fe)O: Implications for the core-mantle boundary region: SOUND VELOCITIES OF IRON-RICH (Mg,Fe)O
journal, August 2010

  • Wicks, J. K.; Jackson, J. M.; Sturhahn, W.
  • Geophysical Research Letters, Vol. 37, Issue 15
  • DOI: 10.1029/2010GL043689

Subduction factory: 4. Depth-dependent flux of H 2 O from subducting slabs worldwide
journal, January 2011

  • van Keken, Peter E.; Hacker, Bradley R.; Syracuse, Ellen M.
  • Journal of Geophysical Research, Vol. 116, Issue B1
  • DOI: 10.1029/2010JB007922

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999