Atomic level structure of Ge-Sb-S glasses: Chemical short range order and long Sb-S bonds

I. Pethes, V. Nazabal, J. Ari, I. Kaban, J. Darpentigny, E. Welter, O. Gutowski, B. Bureau, Y. Messaddeq, P. Jóvári

Research output: Article

2 Citations (Scopus)

Abstract

The structure of Ge20Sb10S70, Ge23Sb12S65 and Ge26Sb13S61 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements at the Ge and Sb K-edges as well as Raman scattering. For each composition, large scale structural models were obtained by fitting simultaneously diffraction and EXAFS data sets in the framework of the reverse Monte Carlo (RMC) simulation technique. Ge and S atoms have 4 and 2 nearest neighbors, respectively. The structure of these glasses can be described by the chemically ordered network model: Ge-S and Sb-S bonds are always preferred. These two bond types adequately describe the structure of the stoichiometric glass while S-S bonds can also be found in the S-rich composition. Raman scattering data show the presence of Ge-Ge, Ge-Sb and Sb-Sb bonds in the S-deficient glass but only Ge-Sb bonds are needed to fit diffraction and EXAFS datasets. A significant part of the Sb-S pairs has 0.3–0.4 Å longer bond distance than the usually accepted covalent bond length (∼2.45 Å). From this observation it was inferred that a part of Sb atoms have more than 3 S neighbors.

Original languageEnglish
Pages (from-to)1009-1016
Number of pages8
JournalJournal of Alloys and Compounds
Volume774
DOIs
Publication statusPublished - febr. 5 2019

Fingerprint

X ray absorption
Glass
Raman scattering
Diffraction
Atoms
Covalent bonds
Chemical bonds
Bond length
Neutron diffraction
Chemical analysis
X ray diffraction

Keywords

    ASJC Scopus subject areas

    • Mechanics of Materials
    • Mechanical Engineering
    • Metals and Alloys
    • Materials Chemistry

    Cite this

    Atomic level structure of Ge-Sb-S glasses : Chemical short range order and long Sb-S bonds. / Pethes, I.; Nazabal, V.; Ari, J.; Kaban, I.; Darpentigny, J.; Welter, E.; Gutowski, O.; Bureau, B.; Messaddeq, Y.; Jóvári, P.

    In: Journal of Alloys and Compounds, Vol. 774, 05.02.2019, p. 1009-1016.

    Research output: Article

    Pethes, I, Nazabal, V, Ari, J, Kaban, I, Darpentigny, J, Welter, E, Gutowski, O, Bureau, B, Messaddeq, Y & Jóvári, P 2019, 'Atomic level structure of Ge-Sb-S glasses: Chemical short range order and long Sb-S bonds' Journal of Alloys and Compounds, vol. 774, pp. 1009-1016. https://doi.org/10.1016/j.jallcom.2018.09.334
    Pethes, I. ; Nazabal, V. ; Ari, J. ; Kaban, I. ; Darpentigny, J. ; Welter, E. ; Gutowski, O. ; Bureau, B. ; Messaddeq, Y. ; Jóvári, P. / Atomic level structure of Ge-Sb-S glasses : Chemical short range order and long Sb-S bonds. In: Journal of Alloys and Compounds. 2019 ; Vol. 774. pp. 1009-1016.
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    abstract = "The structure of Ge20Sb10S70, Ge23Sb12S65 and Ge26Sb13S61 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements at the Ge and Sb K-edges as well as Raman scattering. For each composition, large scale structural models were obtained by fitting simultaneously diffraction and EXAFS data sets in the framework of the reverse Monte Carlo (RMC) simulation technique. Ge and S atoms have 4 and 2 nearest neighbors, respectively. The structure of these glasses can be described by the chemically ordered network model: Ge-S and Sb-S bonds are always preferred. These two bond types adequately describe the structure of the stoichiometric glass while S-S bonds can also be found in the S-rich composition. Raman scattering data show the presence of Ge-Ge, Ge-Sb and Sb-Sb bonds in the S-deficient glass but only Ge-Sb bonds are needed to fit diffraction and EXAFS datasets. A significant part of the Sb-S pairs has 0.3–0.4 {\AA} longer bond distance than the usually accepted covalent bond length (∼2.45 {\AA}). From this observation it was inferred that a part of Sb atoms have more than 3 S neighbors.",
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    AU - Pethes, I.

    AU - Nazabal, V.

    AU - Ari, J.

    AU - Kaban, I.

    AU - Darpentigny, J.

    AU - Welter, E.

    AU - Gutowski, O.

    AU - Bureau, B.

    AU - Messaddeq, Y.

    AU - Jóvári, P.

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    AB - The structure of Ge20Sb10S70, Ge23Sb12S65 and Ge26Sb13S61 glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), extended X-ray absorption fine structure (EXAFS) measurements at the Ge and Sb K-edges as well as Raman scattering. For each composition, large scale structural models were obtained by fitting simultaneously diffraction and EXAFS data sets in the framework of the reverse Monte Carlo (RMC) simulation technique. Ge and S atoms have 4 and 2 nearest neighbors, respectively. The structure of these glasses can be described by the chemically ordered network model: Ge-S and Sb-S bonds are always preferred. These two bond types adequately describe the structure of the stoichiometric glass while S-S bonds can also be found in the S-rich composition. Raman scattering data show the presence of Ge-Ge, Ge-Sb and Sb-Sb bonds in the S-deficient glass but only Ge-Sb bonds are needed to fit diffraction and EXAFS datasets. A significant part of the Sb-S pairs has 0.3–0.4 Å longer bond distance than the usually accepted covalent bond length (∼2.45 Å). From this observation it was inferred that a part of Sb atoms have more than 3 S neighbors.

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