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

Title: Pressure-induced structural modulations in coesite

; ; ; ; ;
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
SC-0001057; FG02-94ER14466; DEAC02-06CH11357
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 10; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Wu, Ye, Liu, Hanyu, Huang, Haijun, Fei, Yingwei, Feng, Xiaolei, and Redfern, Simon A. T. Pressure-induced structural modulations in coesite. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.104106.
Wu, Ye, Liu, Hanyu, Huang, Haijun, Fei, Yingwei, Feng, Xiaolei, & Redfern, Simon A. T. Pressure-induced structural modulations in coesite. United States. doi:10.1103/PhysRevB.98.104106.
Wu, Ye, Liu, Hanyu, Huang, Haijun, Fei, Yingwei, Feng, Xiaolei, and Redfern, Simon A. T. Thu . "Pressure-induced structural modulations in coesite". United States. doi:10.1103/PhysRevB.98.104106.
title = {Pressure-induced structural modulations in coesite},
author = {Wu, Ye and Liu, Hanyu and Huang, Haijun and Fei, Yingwei and Feng, Xiaolei and Redfern, Simon A. T.},
abstractNote = {},
doi = {10.1103/PhysRevB.98.104106},
journal = {Physical Review B},
number = 10,
volume = 98,
place = {United States},
year = {2018},
month = {9}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.98.104106

Save / Share:

Works referenced in this record:

Crystal structure transformations in SiO2 from classical and ab initio metadynamics
journal, July 2006

  • Martoňák, Roman; Donadio, Davide; Oganov, Artem R.
  • Nature Materials, Vol. 5, Issue 8
  • DOI: 10.1038/nmat1696

First Natural Occurrence of Coesite
journal, July 1960

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

Elasticity and phase transformation at high pressure in coesite from experiments and first-principles calculations
journal, May 2016

  • Chen, Ting; Wang, Xuebing; Qi, Xintong
  • American Mineralogist, Vol. 101, Issue 5
  • DOI: 10.2138/am-2016-5533

Raman Spectroscopy of Si O 2 Glass at High Pressure
journal, August 1986

Precise determination of the phase boundary between coesite and stishovite in SiO 2
journal, March 2017

  • Ono, Shigeaki; Kikegawa, Takumi; Higo, Yuji
  • Physics of the Earth and Planetary Interiors, Vol. 264
  • DOI: 10.1016/j.pepi.2017.01.003

Stishovite single-crystal growth and application to silicon self-diffusion measurements
journal, December 2009

  • Shatskiy, A.; Yamazaki, D.; Borzdov, Y. M.
  • American Mineralogist, Vol. 95, Issue 1
  • DOI: 10.2138/am.2010.3255

Crystalline Post-Quartz Phase in Silica at High Pressure
journal, September 2001

High-pressure crystal chemistry of coesite-I and its transition to coesite-II
journal, January 2014

  • Černok, Ana; Bykova, Elena; Ballaran, Tiziana Boffa
  • Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, Issue 11
  • DOI: 10.1515/zkri-2014-1763

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Hydrostatic compression and high-pressure elastic constants of coesite silica
journal, March 2008

  • Kimizuka, Hajime; Ogata, Shigenobu; Li, Ju
  • Journal of Applied Physics, Vol. 103, Issue 5
  • DOI: 10.1063/1.2888558

Elastic instability in α-quartz under pressure
journal, October 1992

High-pressure behavior in α- AlPO 4 : Amorphization and the memory-glass effect
journal, May 1995

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

Thermodynamic properties of α-quartz, coesite, and stishovite and equilibrium phase relations at high pressures and high temperatures
journal, November 1995

  • Akaogi, Masaki; Yusa, Hitoshi; Shiraishi, Kimiko
  • Journal of Geophysical Research: Solid Earth, Vol. 100, Issue B11
  • DOI: 10.1029/95JB02395

High-pressure infrared sepctra of ∝ -quartz, coesite, stishovite and silica glass
journal, December 1993

  • Williams, Q.; Hemley, R. J.; Kruger, M. B.
  • Journal of Geophysical Research: Solid Earth, Vol. 98, Issue B12
  • DOI: 10.1029/93JB02171

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

Pressure-induced amorphization of crystalline silica
journal, July 1988

  • Hemley, R. J.; Jephcoat, A. P.; Mao, H. K.
  • Nature, Vol. 334, Issue 6177
  • DOI: 10.1038/334052a0

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

Polymorphic phase transition mechanism of compressed coesite
journal, March 2015

  • Hu, Q. Y.; Shu, J. -F.; Cadien, A.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7630

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

Hydrostatic limits of 11 pressure transmitting media
journal, March 2009

  • Klotz, S.; Chervin, J-C.; Munsch, P.
  • Journal of Physics D: Applied Physics, Vol. 42, Issue 7, Article No. 075413
  • DOI: 10.1088/0022-3727/42/7/075413

New high-pressure transformation in α-quartz
journal, June 1993

Compression mechanisms of coesite
journal, April 2003

  • Angel, R. J.; Shaw, C. S. J.; Gibbs, G. V.
  • Physics and Chemistry of Minerals, Vol. 30, Issue 3
  • DOI: 10.1007/s00269-003-0303-9

Transformation pathways of silica under high pressure
journal, November 2006

  • Huang, Liping; Durandurdu, Murat; Kieffer, John
  • Nature Materials, Vol. 5, Issue 12
  • DOI: 10.1038/nmat1760

A study of the structural chemistry of coesite
journal, January 1977

Phase changes and amorphization of zeolites at high pressures; the case of scolecite and mesolite
journal, June 1996

  • Gillet, Philippe; Malezieux, Jean-Marie; Itie, Jean-Paul
  • American Mineralogist, Vol. 81, Issue 5-6
  • DOI: 10.2138/am-1996-5-612

Tuning Oxygen Packing in Silica by Nonhydrostatic Pressure
journal, November 2007

Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)
journal, January 2011

  • Bennett, Thomas D.; Simoncic, Petra; Moggach, Stephen A.
  • Chemical Communications, Vol. 47, Issue 28
  • DOI: 10.1039/c1cc11985k

A New Dense Crystalline Silica
journal, July 1953

Pressure-induced phase transitions in coesite
journal, April 2014

  •  ernok, A.; Ballaran, T. B.; Caracas, R.
  • American Mineralogist, Vol. 99, Issue 4
  • DOI: 10.2138/am.2014.4585

Anomalous compression and equation of state of coesite
journal, June 2001

  • Angel, R. J.; Mosenfelder, J. L.; Shaw, C. S. J.
  • Physics of the Earth and Planetary Interiors, Vol. 124, Issue 1-2
  • DOI: 10.1016/S0031-9201(01)00184-4

Location and quantitative analysis of OH in coesite
journal, November 2001

  • Koch-Müller, M.; Fei, Y.; Hauri, E.
  • Physics and Chemistry of Minerals, Vol. 28, Issue 10
  • DOI: 10.1007/s002690100195

New pressure-induced transformations of silica at room temperature
journal, September 1990

  • Tsuchida, Yoshihiko; Yagi, Takehiko
  • Nature, Vol. 347, Issue 6290
  • DOI: 10.1038/347267a0

High pressure single-crystal micro X-ray diffraction analysis with GSE_ADA/RSV software
journal, August 2013

Pressure dependence of hydroxyl solubility in coesite
journal, November 2000

Pressure-induced amorphization in crystalline silica: Soft phonon modes and shear instabilities in coesite
journal, February 2000

Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions
journal, January 1986

  • Mao, H. K.; Xu, J.; Bell, P. M.
  • Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676
  • DOI: 10.1029/JB091iB05p04673

First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
journal, October 2008

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

Ab initio studies of phonon softening and high-pressure phase transitions of α -quartz Si O 2
journal, March 2006