Structure and properties of dense silica glass.

Scientific Reports
Min WuJohn S Tse

Abstract

The O K-edge x-ray Raman scattering (XRS), Brillouin scattering and diffraction studies on silica glass at high pressure have been elucidated in a unified manner using model structures obtained from First-Principles molecular dynamics calculations. This study provides a comprehensive understanding on how the structure is related to the physical and electronic properties. The origin of the "two peak" pattern in the XRS is found to be the result of increased packing of oxygen near the Si and is not a specific sign for sixfold coordination. The compression mechanism involving the presence of 5- and 6-fold coordinated silicon is confirmed. A slight increase in the silicon-oxygen coordination higher than six was found to accompany the increase in the acoustic wave velocity near 140 GPa.

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Citations

Dec 9, 2017·Physical Review Letters·Sylvain PetitgirardDavid C Rubie
Sep 7, 2017·Proceedings of the National Academy of Sciences of the United States of America·Clemens PrescherYanbin Wang
Jan 28, 2017·Physical Chemistry Chemical Physics : PCCP·Xiao-Jie ZhangZhi-Pan Liu
Nov 29, 2014·Scientific Reports·T DeschampsB Champagnon
May 23, 2014·Scientific Reports·Fenglin Yuan, Liping Huang
Nov 8, 2016·Scientific Reports·Volker SchnabelJochen M Schneider
Sep 7, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Philip S SalmonDario Marrocchelli
Aug 14, 2013·Physical Chemistry Chemical Physics : PCCP·Philip S Salmon, Anita Zeidler
Dec 5, 2013·Physical Chemistry Chemical Physics : PCCP·Neng LiWai-Yim Ching
Jun 25, 2020·Journal of Physics. Condensed Matter : an Institute of Physics Journal·A Zaccone, E M Terentjev
Mar 7, 2015·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Philip S Salmon, Anita Zeidler
Jun 3, 2017·The Journal of Chemical Physics·N M Anoop KrishnanMathieu Bauchy
Dec 24, 2016·Journal of Synchrotron Radiation·Sylvain PetitgirardMax Wilke
Dec 14, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Huynh Anh HuyGiang Hoang Nguyen
May 23, 2018·Proceedings of the National Academy of Sciences of the United States of America·Sung Keun LeeGuoyin Shen
Dec 24, 2016·Journal of Synchrotron Radiation·Ch J SahleA Mirone
Dec 26, 2018·Langmuir : the ACS Journal of Surfaces and Colloids·Ana R GarciaLaura M Ilharco
Nov 4, 2017·The Journal of Physical Chemistry. B·XiangPo Du, John S Tse
Nov 5, 2021·Nature·A HasmyB Hehlen

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Methods Mentioned

BETA
x-ray Raman scattering

Software Mentioned

Quantum Espresso

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