Structure of Na2S-GeS2 glasses studied by using neutron and X-ray diffraction and reverse Monte Carlo modeling

Keiji Itoh, Toshiharu Fukunaga

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Neutron and X-ray diffraction measurements were performed to investigate the structure of Na2S-GeS2 glasses synthesized by mechanical alloying. The Ge-S coordination numbers calculated from the total correlation functions show that GeS4 tetrahedra form the basic framework structure of Na2S-GeS2 glasses. In addition, a three-dimensional structural model of the (Na2S)50(GeS2)50 glass was obtained by using reverse Monte Carlo (RMC) simulation on neutron and X-ray diffraction data, and it was compared with the RMC model previously obtained for a (Li2S)50(GeS2)50 glass. The results show that the Ge-S framework structures in the two glasses are almost the same in the short and intermediate ranges; that is, the Ge-S framework structures are formed mainly by the connection of corner-sharing GeS4 tetrahedra. Many of the Na ions are coordinated by four S atoms, which are non-bridging S atoms and/or bridging S atoms.

Original languageEnglish
Pages (from-to)351-355
Number of pages5
JournalSolid State Ionics
Volume180
Issue number4-5
DOIs
Publication statusPublished - Apr 27 2009
Externally publishedYes

Fingerprint

Neutrons
neutrons
X ray diffraction
Glass
glass
diffraction
x rays
tetrahedrons
Atoms
atoms
Mechanical alloying
coordination number
alloying
sodium sulfide
Ions
ions
simulation

Keywords

  • Alkali sulfide glass
  • Glass
  • Neutron diffraction
  • Structure
  • X-ray diffraction

ASJC Scopus subject areas

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

Cite this

Structure of Na2S-GeS2 glasses studied by using neutron and X-ray diffraction and reverse Monte Carlo modeling. / Itoh, Keiji; Fukunaga, Toshiharu.

In: Solid State Ionics, Vol. 180, No. 4-5, 27.04.2009, p. 351-355.

Research output: Contribution to journalArticle

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N2 - Neutron and X-ray diffraction measurements were performed to investigate the structure of Na2S-GeS2 glasses synthesized by mechanical alloying. The Ge-S coordination numbers calculated from the total correlation functions show that GeS4 tetrahedra form the basic framework structure of Na2S-GeS2 glasses. In addition, a three-dimensional structural model of the (Na2S)50(GeS2)50 glass was obtained by using reverse Monte Carlo (RMC) simulation on neutron and X-ray diffraction data, and it was compared with the RMC model previously obtained for a (Li2S)50(GeS2)50 glass. The results show that the Ge-S framework structures in the two glasses are almost the same in the short and intermediate ranges; that is, the Ge-S framework structures are formed mainly by the connection of corner-sharing GeS4 tetrahedra. Many of the Na ions are coordinated by four S atoms, which are non-bridging S atoms and/or bridging S atoms.

AB - Neutron and X-ray diffraction measurements were performed to investigate the structure of Na2S-GeS2 glasses synthesized by mechanical alloying. The Ge-S coordination numbers calculated from the total correlation functions show that GeS4 tetrahedra form the basic framework structure of Na2S-GeS2 glasses. In addition, a three-dimensional structural model of the (Na2S)50(GeS2)50 glass was obtained by using reverse Monte Carlo (RMC) simulation on neutron and X-ray diffraction data, and it was compared with the RMC model previously obtained for a (Li2S)50(GeS2)50 glass. The results show that the Ge-S framework structures in the two glasses are almost the same in the short and intermediate ranges; that is, the Ge-S framework structures are formed mainly by the connection of corner-sharing GeS4 tetrahedra. Many of the Na ions are coordinated by four S atoms, which are non-bridging S atoms and/or bridging S atoms.

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