Pressure-induced structural modulations in coesite

doi:10.1103/PhysRevB.98.104106

Title: Pressure-induced structural modulations in coesite

Authors:: Wu, Ye; Liu, Hanyu; Huang, Haijun; Fei, Yingwei; Feng, Xiaolei; Redfern, Simon A. T.

Publication Date:: 2018-09-20

Sponsoring Org.:: USDOE

OSTI Identifier:: 1471757

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

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

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.

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                    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.

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                    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.

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@article{osti_1471757,

  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}

}

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DOI: 10.1103/PhysRevB.98.104106

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Title: Pressure-induced structural modulations in coesite

Citation Formats

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

First Natural Occurrence of Coesite journal, July 1960

Generalized Gradient Approximation Made Simple journal, October 1996

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

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

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

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

Special points for Brillouin-zone integrations journal, June 1976

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

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

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

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

Pressure-induced amorphization of crystalline silica journal, July 1988

Toward an internally consistent pressure scale journal, May 2007

Polymorphic phase transition mechanism of compressed coesite journal, March 2015

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

Hydrostatic limits of 11 pressure transmitting media journal, March 2009

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

Compression mechanisms of coesite journal, April 2003

Transformation pathways of silica under high pressure journal, November 2006

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

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

A New Dense Crystalline Silica journal, July 1953

Pressure-induced phase transitions in coesite journal, April 2014

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

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

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

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

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

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

First Natural Occurrence of Coesite
journal, July 1960

Generalized Gradient Approximation Made Simple
journal, October 1996

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

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

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

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

Special points for Brillouin-zone integrations
journal, June 1976

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

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

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

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

Pressure-induced amorphization of crystalline silica
journal, July 1988

Toward an internally consistent pressure scale
journal, May 2007

Polymorphic phase transition mechanism of compressed coesite
journal, March 2015

Sixfold-Coordinated Amorphous Polymorph of ${SiO}_{2}$ under High Pressure
journal, December 2008

Hydrostatic limits of 11 pressure transmitting media
journal, March 2009

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

Compression mechanisms of coesite
journal, April 2003

Transformation pathways of silica under high pressure
journal, November 2006

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

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

A New Dense Crystalline Silica
journal, July 1953

Pressure-induced phase transitions in coesite
journal, April 2014

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

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

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

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

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