Oxygen Quadclusters in 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:
-
- Seoul National Univ. (Korea, Republic of). School of Earth and Environmental Sciences and Inst. of Applied Physics
- Seoul National Univ. (Korea, Republic of). School of Earth and Environmental Sciences
- Argonne National Lab. (ANL), Argonne, IL (United States). X-Ray Science Division, High Pressure Collaborative Access Team (HPCAT)
- 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}
}
Web of Science
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
Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope
journal, October 2011
- Lin, Yu; Zhang, Li; Mao, Ho-kwang
- Physical Review Letters, Vol. 107, Issue 17
Structure of Glass at High Pressure: A Solid-State NMR Study
journal, April 2005
- Lee, Sung Keun; Mibe, Kenji; Fei, Yingwei
- Physical Review Letters, Vol. 94, Issue 16
Structure of shock compressed model basaltic glass: Insights from O K-edge X-ray Raman scattering and high-resolution 27 Al NMR spectroscopy : STRUCTURE OF SHOCK COMPRESSED GLASS
journal, March 2012
- Lee, Sung Keun; Park, Sun Young; Kim, Hyo-Im
- Geophysical Research Letters, Vol. 39, Issue 5
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
Hydrous minerals and the storage of water in the deep mantle
journal, December 2015
- Ohtani, Eiji
- Chemical Geology, Vol. 418
Effect of pressure on structure of oxide glasses at high pressure: Insights from solid-state NMR of quadrupolar nuclides
journal, September 2010
- Lee, Sung Keun
- Solid State Nuclear Magnetic Resonance, Vol. 38, Issue 2-3
A Strong to Fragile Transition in a Model of Liquid Silica
journal, November 1997
- Barrat, Jean-Louis; Badro, James; Gillet, Philippe
- Molecular Simulation, Vol. 20, Issue 1-2
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
High-Pressure Transformation of Glass from a Tetrahedral to an Octahedral Network: A Joint Approach Using Neutron Diffraction and Molecular Dynamics
journal, September 2014
- Zeidler, Anita; Wezka, Kamil; Rowlands, Ruth F.
- Physical Review Letters, Vol. 113, Issue 13
Bonding character of SiO 2 stishovite under high pressures up to 30 Gpa
journal, October 2002
- Yamanaka, T.; Fukuda, T.; Mimaki, J.
- Physics and Chemistry of Minerals, Vol. 29, Issue 9
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
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
Glass Density to Lower-Mantle Pressures
journal, November 2017
- Petitgirard, Sylvain; Malfait, Wim J.; Journaux, Baptiste
- Physical Review Letters, Vol. 119, Issue 21
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
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
Magma properties at deep Earth’s conditions from electronic structure of silica
journal, February 2019
- Petitgirard, S.; Sahle, C. J.; Weis, C.
- Geochemical Perspectives Letters
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
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
Sixfold-Coordinated Amorphous Polymorph of under High Pressure
journal, December 2008
- Sato, Tomoko; Funamori, Nobumasa
- Physical Review Letters, Vol. 101, Issue 25
Anion coordination and cation packing in oxides
journal, August 1982
- O'Keeffe, M.; Hyde, B. G.
- Journal of Solid State Chemistry, Vol. 44, Issue 1
Diamond anvil Raman gauge in multimegabar pressure range
journal, December 2007
- Akahama, Yuichi; Kawamura, Haruki
- High Pressure Research, Vol. 27, Issue 4
Spectroscopy of low and intermediate Z elements at extreme conditions: in situ studies of Earth materials at pressure and temperature via X-ray Raman scattering
journal, July 2016
- Sternemann, C.; Wilke, M.
- High Pressure Research, Vol. 36, Issue 3
Role of Disorder in the Thermodynamics and Atomic Dynamics of Glasses
journal, January 2014
- Chumakov, A. I.; Monaco, G.; Fontana, A.
- Physical Review Letters, Vol. 112, Issue 2
Glass structure, melt structure, and dynamics: Some concepts for petrology
journal, April 2016
- Stebbins, Jonathan F.
- American Mineralogist, Vol. 101, Issue 4
Evidence of fivefold-coordinated Ge atoms in amorphous GeO under pressure using inelastic x-ray scattering
journal, April 2012
- Lelong, G.; Cormier, L.; Ferlat, G.
- Physical Review B, Vol. 85, Issue 13
Electronic bonding transition in compressed glass
journal, January 2007
- Lin, Jung-Fu; Fukui, Hiroshi; Prendergast, David
- Physical Review B, Vol. 75, Issue 1
Structure and Properties of Dense Silica Glass
journal, May 2012
- Wu, Min; Liang, Yunfeng; Jiang, Jian-Zhong
- Scientific Reports, Vol. 2, Issue 1
Structural and topological changes in silica glass at pressure
journal, February 2010
- Benmore, C. J.; Soignard, E.; Amin, S. A.
- Physical Review B, Vol. 81, Issue 5
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
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
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
Pressure-induced changes in local electronic structures of SiO2 and MgSiO3 polymorphs: Insights from ab initio calculations of O K-edge energy-loss near-edge structure spectroscopy
journal, May 2012
- Yi, Y. S.; Lee, S. K.
- American Mineralogist, Vol. 97, Issue 5-6
First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure
journal, September 2007
- Karki, Bijaya B.; Bhattarai, Dipesh; Stixrude, Lars
- Physical Review B, Vol. 76, Issue 10
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
Simplicity in melt densification in multicomponent magmatic reservoirs in Earth's interior revealed by multinuclear magnetic resonance
journal, April 2011
- Lee, S. K.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 17
Structure of Alkali Borate Glasses at High Pressure: B and Li -Edge Inelastic X-Ray Scattering Study
journal, March 2007
- Lee, Sung Keun; Eng, Peter J.; Mao, Ho-kwang
- Physical Review Letters, Vol. 98, Issue 10
Melting of subducted basalt at the core-mantle boundary
journal, May 2014
- Andrault, D.; Pesce, G.; Bouhifd, M. A.
- Science, Vol. 344, Issue 6186
Pressure-Induced Structural Changes in Liquid from Simulations
journal, November 2002
- Trave, Andrea; Tangney, Paul; Scandolo, Sandro
- Physical Review Letters, Vol. 89, Issue 24
Correlated High-Pressure Phase Sequence of VO 2 under Strong Compression
journal, April 2018
- Xie, Sheng-Yi; Wang, Luhong; Liu, Fuyang
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 9
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
Phase stability and thermal equation of state of δ-AlOOH: Implication for water transportation to the Deep Lower Mantle
journal, July 2018
- Duan, Yunfei; Sun, Ningyu; Wang, Siheng
- Earth and Planetary Science Letters, Vol. 494
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
Bonding Changes in Compressed Superhard Graphite
journal, October 2003
- Mao, W. L.
- Science, Vol. 302, Issue 5644
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
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
Structure and Freezing of MgSiO3 Liquid in Earth's Lower Mantle
journal, October 2005
- Stixrude, L.
- Science, Vol. 310, Issue 5746
Atomistic origins of pressure-induced changes in the O -edge x-ray Raman scattering features of and polymorphs: Insights from ab initio calculations
journal, September 2016
- Yi, Yoo Soo; Lee, Sung Keun
- Physical Review B, Vol. 94, Issue 9
Density-driven structural transformations in glass
journal, July 2014
- Zeidler, Anita; Wezka, Kamil; Whittaker, Dean A. J.
- Physical Review B, Vol. 90, Issue 2
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
Spectroscopic Evidence for Ultrahigh-Pressure Polymorphism in Glass
journal, January 2010
- Murakami, Motohiko; Bass, Jay D.
- Physical Review Letters, Vol. 104, Issue 2
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
Probing of Triply Coordinated Oxygen in Amorphous Al 2 O 3
journal, December 2017
- Lee, Sung Keun; Ryu, Saebom
- The Journal of Physical Chemistry Letters, Vol. 9, Issue 1
X-ray Raman scattering for structural investigation of silica/silicate minerals
journal, October 2008
- Fukui, H.; Kanzaki, M.; Hiraoka, N.
- Physics and Chemistry of Minerals, Vol. 36, Issue 3
Probing and modeling of pressure-induced coordination transformation in borate glasses: Inelastic x-ray scattering study at high pressure
journal, December 2008
- Lee, Sung Keun; Eng, Peter J.; Mao, Ho-kwang
- Physical Review B, Vol. 78, Issue 21
Stoichiometry and the structure and stability of inorganic solids
journal, May 1984
- O'Keeffe, M.; Hyde, B. G.
- Nature, Vol. 309, Issue 5967
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
High Pressure Polymorphism in Silica
journal, March 1998
- Teter, David M.; Hemley, Russell J.; Kresse, Georg
- Physical Review Letters, Vol. 80, Issue 10
Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data
journal, April 1988
- Will, G.; Bellotto, M.; Parrish, W.
- Journal of Applied Crystallography, Vol. 21, Issue 2
Aluminum coordination and the densification of high-pressure aluminosilicate glasses
journal, July 2005
- Allwardt, J. R.
- American Mineralogist, Vol. 90, Issue 7
High-pressure densification of amorphous silica
journal, September 1992
- Tse, John S.; Klug, Dennis D.; Le Page, Yvon
- Physical Review B, Vol. 46, Issue 10
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
High-pressure structural transformation of glass up to 100 GPa
journal, November 2010
- Sato, Tomoko; Funamori, Nobumasa
- Physical Review B, Vol. 82, Issue 18
Al Coordination Changes in High-Pressure Aluminosilicate Liquids
journal, December 1995
- Yarger, J. L.; Smith, K. H.; Nieman, R. A.
- Science, Vol. 270, Issue 5244
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