Structure of Te-rich Te-Ge-X (X = I, Se, Ga) glasses

P. Jóvári, Ivan Kaban, Bruno Bureau, Allison Wilhelm, Pierre Lucas, Brigitte Beuneu, Dariusz A. Zajac

Research output: Contribution to journalArticle

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Abstract

The structure of glassy Te78Ge11Ga11, Te79Ge16Ga5, Te70Ge 20Se10 and Te73Ge20I 7-promising materials for far infrared applications-was investigated by means of x-ray and neutron diffraction as well as extended x-ray absorption fine structure measurements at various edges. Experimental data sets were fitted simultaneously in the framework of the reverse Monte Carlo simulation technique. Short range order in Te85Ge15 was reinvestigated by fitting a new x-ray diffraction measurement together with available neutron diffraction and extended x-ray absorption fine structure data. It was found that Te85Ge15 consists mostly of GeTe 4 structural units linked together directly or via bridging Te atoms. Te is predominantly twofold coordinated in Te85Ge15, Te70Ge20Se10 and Te73Ge 20I7 while in Te78Ge11Ga 11 and Te79Ge16Ga5 the Te coordination number is significantly higher than 2. The Te-Te bond length is 2.80 ± 0.02 Å in Te78Ge11Ga11 while it is as short as 2.70 ± 0.02 Å and 2.73 ± 0.02 Å in Te73Ge20I7 and Te 70Ge20Se10, respectively. Our results show that the strengths of GeTe4 (GeTe3I, GeTe3Se) 'units' are very similar in all glasses investigated but the connection between these units depends on the third component. Differences in the Te coordination number suggest that unlike Se or I, Ga does not build into the Ge-Te covalent network. Instead, it forms a covalent bond with the non-bonding p electrons of Te, which results in an increase in the average Te coordination number.

Original languageEnglish
Article number404207
JournalJournal of Physics Condensed Matter
Volume22
Issue number40
DOIs
Publication statusPublished - Oct 13 2010

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coordination number
Glass
X-Rays
Neutron Diffraction
x ray absorption
X rays
neutron diffraction
glass
x ray diffraction
Neutron diffraction
fine structure
covalent bonds
Covalent bonds
Bond length
Diffraction
Electrons
Infrared radiation
Atoms
atoms
electrons

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Medicine(all)

Cite this

Jóvári, P., Kaban, I., Bureau, B., Wilhelm, A., Lucas, P., Beuneu, B., & Zajac, D. A. (2010). Structure of Te-rich Te-Ge-X (X = I, Se, Ga) glasses. Journal of Physics Condensed Matter, 22(40), [404207]. https://doi.org/10.1088/0953-8984/22/40/404207

Structure of Te-rich Te-Ge-X (X = I, Se, Ga) glasses. / Jóvári, P.; Kaban, Ivan; Bureau, Bruno; Wilhelm, Allison; Lucas, Pierre; Beuneu, Brigitte; Zajac, Dariusz A.

In: Journal of Physics Condensed Matter, Vol. 22, No. 40, 404207, 13.10.2010.

Research output: Contribution to journalArticle

Jóvári, P, Kaban, I, Bureau, B, Wilhelm, A, Lucas, P, Beuneu, B & Zajac, DA 2010, 'Structure of Te-rich Te-Ge-X (X = I, Se, Ga) glasses', Journal of Physics Condensed Matter, vol. 22, no. 40, 404207. https://doi.org/10.1088/0953-8984/22/40/404207
Jóvári, P. ; Kaban, Ivan ; Bureau, Bruno ; Wilhelm, Allison ; Lucas, Pierre ; Beuneu, Brigitte ; Zajac, Dariusz A. / Structure of Te-rich Te-Ge-X (X = I, Se, Ga) glasses. In: Journal of Physics Condensed Matter. 2010 ; Vol. 22, No. 40.
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