Reverse Monte-Carlo Analysis of neutron diffraction from AgI-Ag2S-AgPO3 superionic conducting glasses

Rhet Magaraggia, Shane Kennedy, Tony Tedesco, Evvy Kartini, Malcolm Collins, Keiji Itoh

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Neutron diffraction patterns from silver phosphate (AgPO3), AgI-AgPO3 and Ag2S-AgPO3 glasses were analysed by the Reverse Monte-Carlo method. The diffraction patterns were collected on the HIT-II spectrometer at KENS up to Q = 50 Å- 1. The derived structural models of the salt-doped glasses were compared to AgPO3 glass to correlate features of the atomic and molecular structure with observed superionic conduction in these glasses. A structural model based on extended chains of PO4 tetrahedra, as reported previously by other researchers, provides a solid basis for all these glasses. The analysis indicates a strengthening of the Ag-Ag correlations and contrasting changes in the Ag-O correlations in the doped glasses. We also conclude that S largely displaces non-bridging O in the PO4 tetrahedra in Ag2S-AgPO3 glass.

Original languageEnglish
Pages (from-to)263-265
Number of pages3
JournalPhysica B: Condensed Matter
Volume385-386 I
DOIs
Publication statusPublished - Nov 27 2006
Externally publishedYes

Fingerprint

Neutron diffraction
neutron diffraction
conduction
Glass
glass
tetrahedrons
Diffraction patterns
diffraction patterns
atomic structure
Molecular structure
Monte Carlo method
Spectrometers
phosphates
Silver
Phosphates
Monte Carlo methods
molecular structure
Salts
silver
spectrometers

Keywords

  • AgS-AgI-AgPO
  • RMC
  • RMCA
  • Superionic glasses

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Reverse Monte-Carlo Analysis of neutron diffraction from AgI-Ag2S-AgPO3 superionic conducting glasses. / Magaraggia, Rhet; Kennedy, Shane; Tedesco, Tony; Kartini, Evvy; Collins, Malcolm; Itoh, Keiji.

In: Physica B: Condensed Matter, Vol. 385-386 I, 27.11.2006, p. 263-265.

Research output: Contribution to journalArticle

Magaraggia, Rhet ; Kennedy, Shane ; Tedesco, Tony ; Kartini, Evvy ; Collins, Malcolm ; Itoh, Keiji. / Reverse Monte-Carlo Analysis of neutron diffraction from AgI-Ag2S-AgPO3 superionic conducting glasses. In: Physica B: Condensed Matter. 2006 ; Vol. 385-386 I. pp. 263-265.
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