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Title: Oxygen Quadclusters in SiO 2 Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering

Abstract

As oxygen may occupy a major volume of oxides, a densification of amorphous oxides under extreme compression is dominated by reorganization of oxygen during compression. X-ray Raman scattering (XRS) spectra for SiO2 glass up to 1.6 Mbar reveal the evolution of heavily contracted oxygen environments characterized by a decrease in average O-O distance and the potential emergence of quadruply coordinated oxygen (oxygen quadcluster). Our results also reveal that the edge energies at the centers of gravity of the XRS features increase linearly with bulk density, yielding the first predictive relationship between the density and partial density of state of oxides above megabar pressures. The extreme densification paths with densified oxygen in amorphous oxides shed light upon the possible existence of stable melts in the planetary interiors.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [3]
  1. Seoul National Univ. (Korea, Republic of). School of Earth and Environmental Sciences and Inst. of Applied Physics
  2. Seoul National Univ. (Korea, Republic of). School of Earth and Environmental Sciences
  3. Argonne National Lab. (ANL), Argonne, IL (United States). X-Ray Science Division, High Pressure Collaborative Access Team (HPCAT)
  4. Carnegie Inst. of Science, Washington, DC (United States). Geophysical Lab.
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113); National Research Foundation of Korea (NRF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; Samsung Science and Technology Foundation (SSTF)
OSTI Identifier:
1608996
Alternate Identifier(s):
OSTI ID: 1577409
Grant/Contract Number:  
AC02-06CH11357; FG02-99ER45775; BA1401-07
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 123; Journal Issue: 23; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Lee, Sung Keun, Kim, Yong-Hyun, Yi, Yoo Soo, Chow, Paul, Xiao, Yuming, Ji, Cheng, and Shen, Guoyin. Oxygen Quadclusters in SiO2 Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering. United States: N. p., 2019. Web. doi:10.1103/PhysRevLett.123.235701.
Lee, Sung Keun, Kim, Yong-Hyun, Yi, Yoo Soo, Chow, Paul, Xiao, Yuming, Ji, Cheng, & Shen, Guoyin. Oxygen Quadclusters in SiO2 Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering. United States. https://doi.org/10.1103/PhysRevLett.123.235701
Lee, Sung Keun, Kim, Yong-Hyun, Yi, Yoo Soo, Chow, Paul, Xiao, Yuming, Ji, Cheng, and Shen, Guoyin. Thu . "Oxygen Quadclusters in SiO2 Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering". United States. https://doi.org/10.1103/PhysRevLett.123.235701. https://www.osti.gov/servlets/purl/1608996.
@article{osti_1608996,
title = {Oxygen Quadclusters in SiO2 Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering},
author = {Lee, Sung Keun and Kim, Yong-Hyun and Yi, Yoo Soo and Chow, Paul and Xiao, Yuming and Ji, Cheng and Shen, Guoyin},
abstractNote = {As oxygen may occupy a major volume of oxides, a densification of amorphous oxides under extreme compression is dominated by reorganization of oxygen during compression. X-ray Raman scattering (XRS) spectra for SiO2 glass up to 1.6 Mbar reveal the evolution of heavily contracted oxygen environments characterized by a decrease in average O-O distance and the potential emergence of quadruply coordinated oxygen (oxygen quadcluster). Our results also reveal that the edge energies at the centers of gravity of the XRS features increase linearly with bulk density, yielding the first predictive relationship between the density and partial density of state of oxides above megabar pressures. The extreme densification paths with densified oxygen in amorphous oxides shed light upon the possible existence of stable melts in the planetary interiors.},
doi = {10.1103/PhysRevLett.123.235701},
journal = {Physical Review Letters},
number = 23,
volume = 123,
place = {United States},
year = {Thu Dec 05 00:00:00 EST 2019},
month = {Thu Dec 05 00:00:00 EST 2019}
}

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Cited by: 20 works
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Works referenced in this record:

Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones
journal, November 2017

  • Liu, Jin; Hu, Qingyang; Young Kim, Duck
  • Nature, Vol. 551, Issue 7681
  • DOI: 10.1038/nature24461

Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope
journal, October 2011


Structure of B 2 O 3 Glass at High Pressure: A B 11 Solid-State NMR Study
journal, April 2005


Probing of bonding changes in B2O3 glasses at high pressure with inelastic X-ray scattering
journal, October 2005

  • Lee, Sung Keun; Eng, Peter J.; Mao, Ho-kwang
  • Nature Materials, Vol. 4, Issue 11
  • DOI: 10.1038/nmat1511

Hydrous minerals and the storage of water in the deep mantle
journal, December 2015


Effect of pressure on structure of oxide glasses at high pressure: Insights from solid-state NMR of quadrupolar nuclides
journal, September 2010


A Strong to Fragile Transition in a Model of Liquid Silica
journal, November 1997


Beyond sixfold coordinated Si in SiO 2 glass at ultrahigh pressures
journal, September 2017

  • Prescher, Clemens; Prakapenka, Vitali B.; Stefanski, Johannes
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 38
  • DOI: 10.1073/pnas.1708882114

High-Pressure Transformation of SiO 2 Glass from a Tetrahedral to an Octahedral Network: A Joint Approach Using Neutron Diffraction and Molecular Dynamics
journal, September 2014


Bonding character of SiO 2 stishovite under high pressures up to 30 Gpa
journal, October 2002


Nature of polymerization and properties of silicate melts and glasses at high pressure
journal, October 2004

  • Lee, Sung Keun; Cody, George D.; Fei, Yingwei
  • Geochimica et Cosmochimica Acta, Vol. 68, Issue 20
  • DOI: 10.1016/j.gca.2004.04.002

Ultrahigh-pressure acoustic wave velocities of SiO2-Al2O3 glasses up to 200 GPa
journal, June 2016

  • Ohira, Itaru; Murakami, Motohiko; Kohara, Shinji
  • Progress in Earth and Planetary Science, Vol. 3, Issue 1
  • DOI: 10.1186/s40645-016-0097-2

SiO 2 Glass Density to Lower-Mantle Pressures
journal, November 2017


Ab initio elasticity of three high-pressure polymorphs of silica
journal, December 1997

  • Karki, Bijaya B.; Stixrude, Lars; Crain, Jason
  • Geophysical Research Letters, Vol. 24, Issue 24
  • DOI: 10.1029/97GL53196

Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure
journal, July 2015

  • Chow, P.; Xiao, Y. M.; Rod, E.
  • Review of Scientific Instruments, Vol. 86, Issue 7
  • DOI: 10.1063/1.4926890

Magma properties at deep Earth’s conditions from electronic structure of silica
journal, February 2019


Structure of Silicate Glasses and Melts at High Pressure:  Quantum Chemical Calculations and Solid-State NMR
journal, May 2004

  • Lee, Sung Keun
  • The Journal of Physical Chemistry B, Vol. 108, Issue 19
  • DOI: 10.1021/jp037575d

Atomistic insight into viscosity and density of silicate melts under pressure
journal, January 2014

  • Wang, Yanbin; Sakamaki, Tatsuya; Skinner, Lawrie B.
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4241

Sixfold-Coordinated Amorphous Polymorph of SiO 2 under High Pressure
journal, December 2008


Anion coordination and cation packing in oxides
journal, August 1982


Diamond anvil Raman gauge in multimegabar pressure range
journal, December 2007


Role of Disorder in the Thermodynamics and Atomic Dynamics of Glasses
journal, January 2014


Glass structure, melt structure, and dynamics: Some concepts for petrology
journal, April 2016


Evidence of fivefold-coordinated Ge atoms in amorphous GeO 2 under pressure using inelastic x-ray scattering
journal, April 2012


Electronic bonding transition in compressed SiO 2 glass
journal, January 2007


Structure and Properties of Dense Silica Glass
journal, May 2012

  • Wu, Min; Liang, Yunfeng; Jiang, Jian-Zhong
  • Scientific Reports, Vol. 2, Issue 1
  • DOI: 10.1038/srep00398

Structural and topological changes in silica glass at pressure
journal, February 2010


In situ structural changes of amorphous diopside (CaMgSi2O6) up to 20 GPa: A Raman and O K-edge X-ray Raman spectroscopic study
journal, April 2016

  • Moulton, Benjamin J. A.; Henderson, Grant S.; Fukui, Hiroshi
  • Geochimica et Cosmochimica Acta, Vol. 178
  • DOI: 10.1016/j.gca.2016.01.020

First principles determination of the phase boundaries of high-pressure polymorphs of silica: PHASE DIAGRAM OF SILICA
journal, June 2004

  • Tsuchiya, Taku; Caracas, Razvan; Tsuchiya, Jun
  • Geophysical Research Letters, Vol. 31, Issue 11
  • DOI: 10.1029/2004GL019649

Inelastic x-ray scattering of dense solid oxygen: Evidence for intermolecular bonding
journal, August 2008

  • Meng, Y.; Eng, P. J.; Tse, J. S.
  • Proceedings of the National Academy of Sciences, Vol. 105, Issue 33
  • DOI: 10.1073/pnas.0805601105

First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure
journal, September 2007


Packing and the structural transformations in liquid and amorphous oxides from ambient to extreme conditions
journal, June 2014

  • Zeidler, A.; Salmon, P. S.; Skinner, L. B.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 28
  • DOI: 10.1073/pnas.1405660111

Simplicity in melt densification in multicomponent magmatic reservoirs in Earth's interior revealed by multinuclear magnetic resonance
journal, April 2011


Structure of Alkali Borate Glasses at High Pressure: B and Li K -Edge Inelastic X-Ray Scattering Study
journal, March 2007


Melting of subducted basalt at the core-mantle boundary
journal, May 2014


Pressure-Induced Structural Changes in Liquid S i O 2 from Ab Initio Simulations
journal, November 2002


Correlated High-Pressure Phase Sequence of VO 2 under Strong Compression
journal, April 2018


First-principles molecular dynamics simulations of MgSiO3 glass: Structure, density, and elasticity at high pressure
journal, July 2014

  • Ghosh, D. B.; Karki, B. B.; Stixrude, L.
  • American Mineralogist, Vol. 99, Issue 7
  • DOI: 10.2138/am.2014.4631

Phase stability and thermal equation of state of δ-AlOOH: Implication for water transportation to the Deep Lower Mantle
journal, July 2018


Stability of CaCl 2 -type and α-PbO 2 -type SiO 2 at high pressure and temperature determined by in-situ X-ray measurements : STABILITY OF CaCl
journal, March 2003

  • Murakami, Motohiko; Hirose, Kei; Ono, Shigeaki
  • Geophysical Research Letters, Vol. 30, Issue 5
  • DOI: 10.1029/2002GL016722

Bonding Changes in Compressed Superhard Graphite
journal, October 2003


Electrical conductivity of SiO 2 at extreme conditions and planetary dynamos
journal, August 2017

  • Scipioni, Roberto; Stixrude, Lars; Desjarlais, Michael P.
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 34
  • DOI: 10.1073/pnas.1704762114

X-ray Raman scattering study of MgSiO3 glass at high pressure: Implication for triclustered MgSiO3 melt in Earth's mantle
journal, June 2008

  • Lee, S. K.; Lin, J. -F.; Cai, Y. Q.
  • Proceedings of the National Academy of Sciences, Vol. 105, Issue 23
  • DOI: 10.1073/pnas.0802667105

Structure and Freezing of MgSiO3 Liquid in Earth's Lower Mantle
journal, October 2005


Density-driven structural transformations in B 2 O 3 glass
journal, July 2014


Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008


Spectroscopic Evidence for Ultrahigh-Pressure Polymorphism in SiO 2 Glass
journal, January 2010


Probing Metal-Bridging Oxygen and Configurational Disorder in Amorphous Lead Silicates: Insights from 17 O Solid-State Nuclear Magnetic Resonance
journal, December 2014

  • Lee, Sung Keun; Kim, Eun Jeong
  • The Journal of Physical Chemistry C, Vol. 119, Issue 1
  • DOI: 10.1021/jp509780f

Probing of Triply Coordinated Oxygen in Amorphous Al 2 O 3
journal, December 2017


X-ray Raman scattering for structural investigation of silica/silicate minerals
journal, October 2008


Probing and modeling of pressure-induced coordination transformation in borate glasses: Inelastic x-ray scattering study at high pressure
journal, December 2008


Stoichiometry and the structure and stability of inorganic solids
journal, May 1984


Effect of Network Polymerization on the Pressure-Induced Structural Changes in Sodium Aluminosilicate Glasses and Melts: 27 Al and 17 O Solid-State NMR Study
journal, September 2011

  • Lee, Sung Keun; Yi, Yoo Soo; Cody, George D.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 3
  • DOI: 10.1021/jp206765s

High Pressure Polymorphism in Silica
journal, March 1998


Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data
journal, April 1988


Aluminum coordination and the densification of high-pressure aluminosilicate glasses
journal, July 2005


High-pressure densification of amorphous silica
journal, September 1992


Amorphous boron oxide at megabar pressures via inelastic X-ray scattering
journal, May 2018

  • Lee, Sung Keun; Kim, Yong-Hyun; Chow, Paul
  • Proceedings of the National Academy of Sciences, Vol. 115, Issue 23
  • DOI: 10.1073/pnas.1800777115

High-pressure structural transformation of SiO 2 glass up to 100 GPa
journal, November 2010


Al Coordination Changes in High-Pressure Aluminosilicate Liquids
journal, December 1995


Works referencing / citing this record:

Structural Transitions in MgSiO 3 Glasses and Melts at the Core‐Mantle Boundary Observed via Inelastic X‐ray Scattering
journal, December 2019

  • Kim, Yong‐Hyun; Yi, Yoo Soo; Kim, Hyo‐Im
  • Geophysical Research Letters, Vol. 46, Issue 23
  • DOI: 10.1029/2019gl085889