Persistent Octahedral Coordination in Amorphous Up to 100 GPa by X-Ray Emission Spectroscopy
Abstract
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.
- Authors:
-
- Univ. Potsdam, Potsdam (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Deutsches GeoForschungsZentrum GFZ, Potsdam (Germany)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
- European Synchrotron Radiation Facility, Grenoble (France)
- European XFEL, Schenefeld (Germany)
- Univ. Bayreuth, Bayreuth (Germany)
- Univ. Potsdam, Potsdam (Germany)
- Univ. Potsdam, Potsdam (Germany); European XFEL, Schenefeld (Germany)
- Technische Univ. Dortmund, Dortmund (Germany)
- Univ. Frankfurt, Frankfurt am Main (Germany)
- Univ. of Saskatchewan, Saskatoon, SK (Canada)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Tokyo Institute of Technology, Tokyo (Japan)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1503078
- Grant/Contract Number:
- AC02-76SF00515; 05K13PE2; 05K16PE1; 05K16RFB
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. X
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2160-3308
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Spiekermann, G., Harder, M., Gilmore, K., Zalden, P., Sahle, Ch. J., Petitgirard, S., Wilke, M., Biedermann, N., Weis, C., Morgenroth, W., Tse, J. S., Kulik, E., Nishiyama, N., Yavaş, H., and Sternemann, C. Persistent Octahedral Coordination in Amorphous GeO2 Up to 100 GPa by Kβ'' X-Ray Emission Spectroscopy. United States: N. p., 2019.
Web. doi:10.1103/physrevx.9.011025.
Spiekermann, G., Harder, M., Gilmore, K., Zalden, P., Sahle, Ch. J., Petitgirard, S., Wilke, M., Biedermann, N., Weis, C., Morgenroth, W., Tse, J. S., Kulik, E., Nishiyama, N., Yavaş, H., & Sternemann, C. Persistent Octahedral Coordination in Amorphous GeO2 Up to 100 GPa by Kβ'' X-Ray Emission Spectroscopy. United States. https://doi.org/10.1103/physrevx.9.011025
Spiekermann, G., Harder, M., Gilmore, K., Zalden, P., Sahle, Ch. J., Petitgirard, S., Wilke, M., Biedermann, N., Weis, C., Morgenroth, W., Tse, J. S., Kulik, E., Nishiyama, N., Yavaş, H., and Sternemann, C. Wed .
"Persistent Octahedral Coordination in Amorphous GeO2 Up to 100 GPa by Kβ'' X-Ray Emission Spectroscopy". United States. https://doi.org/10.1103/physrevx.9.011025. https://www.osti.gov/servlets/purl/1503078.
@article{osti_1503078,
title = {Persistent Octahedral Coordination in Amorphous GeO2 Up to 100 GPa by Kβ'' X-Ray Emission Spectroscopy},
author = {Spiekermann, G. and Harder, M. and Gilmore, K. and Zalden, P. and Sahle, Ch. J. and Petitgirard, S. and Wilke, M. and Biedermann, N. and Weis, C. and Morgenroth, W. and Tse, J. S. and Kulik, E. and Nishiyama, N. and Yavaş, H. and Sternemann, C.},
abstractNote = {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.},
doi = {10.1103/physrevx.9.011025},
journal = {Physical Review. X},
number = 1,
volume = 9,
place = {United States},
year = {Wed Feb 06 00:00:00 EST 2019},
month = {Wed Feb 06 00:00:00 EST 2019}
}
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Cited by: 20 works
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Figures / Tables:
Figure 1: The distortion of the GeO6 octahedron in the sequence of crystalline high-pressure GeO2 polymorphs rutilelike GeO2, CaCl2-like, α-PbO2-like, and FeS2-like GeO2.
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Works referencing / citing this record:
Density of amorphous to 133 GPa with possible pyritelike structure and stiffness at high pressure
journal, December 2019
- Petitgirard, Sylvain; Spiekermann, Georg; Glazyrin, Konstantin
- Physical Review B, Vol. 100, Issue 21
Density of amorphous $GeO_{2}$ to 133 GPa with possible pyritelike structure and stiffness at high pressure
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