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Title: Persistent Octahedral Coordination in Amorphous GeO 2 Up to 100 GPa by K β ' ' X-Ray Emission Spectroscopy

Journal Article · · Physical Review. X
 [1];  [2];  [3];  [4];  [3];  [5];  [6];  [7];  [8];  [9];  [10];  [2];  [11];  [12];  [8]
  1. Univ. Potsdam, Potsdam (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Deutsches GeoForschungsZentrum GFZ, Potsdam (Germany)
  2. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  3. European Synchrotron Radiation Facility, Grenoble (France)
  4. European XFEL, Schenefeld (Germany)
  5. Univ. Bayreuth, Bayreuth (Germany)
  6. Univ. Potsdam, Potsdam (Germany)
  7. Univ. Potsdam, Potsdam (Germany); European XFEL, Schenefeld (Germany)
  8. Technische Univ. Dortmund, Dortmund (Germany)
  9. Univ. Frankfurt, Frankfurt am Main (Germany)
  10. Univ. of Saskatchewan, Saskatoon, SK (Canada)
  11. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Tokyo Institute of Technology, Tokyo (Japan)
  12. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); SLAC National Accelerator Lab., Menlo Park, CA (United States)

We measure valence-to-core x-ray emission spectra of compressed crystalline GeO2 up to 56 GPa and of amorphous GeO2 up to 100 GPa. In a novel approach, we extract the Ge coordination number and mean Ge-O distances from the emission energy and the intensity of the Kβ" emission line. Here, the spectra of high-pressure polymorphs are calculated using the Bethe-Salpeter equation. Trends observed in the experimental and calculated spectra are found to match only when utilizing an octahedral model. The results reveal persistent octahedral Ge coordination with increasing distortion, similar to the compaction mechanism in the sequence of octahedrally coordinated crystalline GeO2 high-pressure polymorphs.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1503078
Journal Information:
Physical Review. X, Journal Name: Physical Review. X Journal Issue: 1 Vol. 9; ISSN PRXHAE; ISSN 2160-3308
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (61)

X-Ray Emission Spectroscopic Techniques in Bioinorganic Applications book December 2015
Valence to Core X-ray Emission Spectroscopy journal May 2014
Glass-forming region and high refractive index of TiO 2 -based glasses prepared by containerless processing : Glass-forming region and high refractive index of TiO journal October 2012
Structural evolution of rutile-type and CaCl 2 -type germanium dioxide at high pressure journal September 2000
Chemical dependence of interatomic X-ray transition energies and intensities – a study of Mn Kβ″ and Kβ2,5 spectra journal March 1999
High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information journal January 2005
Efficient implementation of core-excitation Bethe–Salpeter equation calculations journal December 2015
High pressure induced phase transformation of SiO2 and GeO2: difference and similarity journal August 2004
X-ray Absorption and Emission Spectroscopic Studies of [L 2 Fe 2 S 2 ] n Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron–Sulfur Clusters journal April 2016
Oxygen Packing Fraction and the Structure of Silicon and Germanium Oxide Glasses journal November 2017
Probing Transient Valence Orbital Changes with Picosecond Valence-to-Core X-ray Emission Spectroscopy journal January 2017
Chemical Sensitivity of Valence-to-Core X-ray Emission Spectroscopy Due to the Ligand and the Oxidation State: A Computational Study on Cu-SSZ-13 with Multiple H 2 O and NH 3 Adsorption journal November 2017
Recent Developments in the Methods and Applications of the Bond Valence Model journal December 2009
Electronic structures of silicon, aluminum, and magnesium in tetrahedral coordination with oxygen from SCF-X.alpha. MO calculations journal August 1975
X-ray Spectroscopic Observation of an Interstitial Carbide in NifEN-Bound FeMoco Precursor journal December 2012
Bulk modulus-volume relationship for cation-anion polyhedra journal November 1979
Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses journal March 2015
Lead palladium titanate: A room temperature nanoscale multiferroic thin film journal February 2020
Structure and Properties of Dense Silica Glass journal May 2012
Signature of a polyamorphic transition in the THz spectrum of vitreous GeO2 journal October 2015
Cu Kβ2,5 X-ray emission spectroscopy as a tool for characterization of monovalent copper compounds journal January 2012
HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays? journal January 2014
Combining X-ray Kβ 1,3 , valence-to-core, and X-ray Raman spectroscopy for studying Earth materials at high pressure and temperature: the case of siderite journal January 2019
Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R 1 fluorescence pressure gauge from 0.06 to 1 Mbar journal June 1978
A multi-crystal wavelength dispersive x-ray spectrometer journal July 2012
Polyhedral units and network connectivity in GeO 2 glass at high pressure: An X-ray total scattering investigation journal August 2014
Pressure-induced changes in the electron density distribution in α-Ge near the α-β transition journal August 2015
Fate of MgSiO 3 melts at core–mantle boundary conditions journal November 2015
Ultrahigh-pressure polyamorphism in GeO 2 glass with coordination number >6 journal March 2016
Beyond sixfold coordinated Si in SiO 2 glass at ultrahigh pressures journal September 2017
The structure of amorphous, crystalline and liquid GeO 2 journal October 2006
A new EXAFS investigation of local structural changes in amorphous and crystalline GeO 2 at high pressure journal March 2009
Density-driven structural transformations in network forming glasses: a high-pressure neutron diffraction study of GeO 2 glass up to 17.5 GPa journal September 2012
Mechanisms of network collapse in GeO 2 glass: high-pressure neutron diffraction with isotope substitution as arbitrator of competing models journal November 2012
X-ray absorption spectroscopy of GeO 2 glass to 64 GPa journal November 2013
Advanced capabilities for materials modelling with Quantum ESPRESSO journal October 2017
Pressure-induced drastic collapse of a high oxygen coordination shell in quartz-like α -GeO 2 journal February 2014
Chemical effects on the K β ″ and K β 2 , 5 x-ray lines of titanium and its compounds journal October 2009
α − PbO 2 -type high-pressure polymorph of GeO 2 journal April 2003
High-pressure form of pyrite-type germanium dioxide journal July 2003
High-pressure EXAFS study of vitreous GeO 2 up to 44 GPa journal January 2010
High-pressure x-ray diffraction measurements on vitreous GeO 2 under hydrostatic conditions journal May 2010
High-pressure structural transformation of SiO 2 glass up to 100 GPa journal November 2010
First-principles prediction of post-pyrite phase transitions in germanium dioxide journal April 2011
Evidence of fivefold-coordinated Ge atoms in amorphous GeO 2 under pressure using inelastic x-ray scattering journal April 2012
High-pressure structural changes in liquid silica journal September 2016
Spectroscopic Evidence for Ultrahigh-Pressure Polymorphism in SiO 2 Glass journal January 2010
SiO 2 Glass Density to Lower-Mantle Pressures journal November 2017
Pressure-induced coordination changes in crystalline and vitreous GeO 2 journal July 1989
Magnetism in FeO at Megabar Pressures from X-Ray Emission Spectroscopy journal November 1999
Valence Band X-Ray Emission Spectra of Compressed Germanium journal April 2006
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal October 2011
Structure refinement of GeO2 polymorphs at high pressures and temperatures by energy-dispersive spectra of powder diffraction journal April 1991
Structural refinements of high-pressure phases in germanium dioxide journal November 2003
Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database journal August 1985
A Complete Solid Solution with Rutile-Type Structure in SiO 2 -GeO 2 System at 12 GPa and 1600°C journal September 2015
Advanced capabilities for materials modelling with Quantum ESPRESSO text January 2017
Efficient implementation of core-excitation Bethe Salpeter equation calculations text January 2016
Signature of a polyamorphic transition in the THz spectrum of vitreous GeO2 text January 2016
Advanced capabilities for materials modelling with Quantum ESPRESSO text January 2017
Magma properties at deep Earth’s conditions from electronic structure of silica journal February 2019

Cited By (2)

Density of amorphous Ge O 2 to 133 GPa with possible pyritelike structure and stiffness at high pressure journal December 2019
Density of amorphous $GeO_{2}$ to 133 GPa with possible pyritelike structure and stiffness at high pressure text January 2019

Figures / Tables (12)


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