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Short range order and Ag diffusion threshold in Ag x (Ge 0.25 Se 0.75 ) 100− x glasses
Author(s) -
Piarristeguy A. A.,
Cuello G. J.,
FernándezMartínez A.,
Cristiglio V.,
Johnson M.,
Ribes M.,
Pradel A.
Publication year - 2012
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201200384
Subject(s) - crystallography , neutron diffraction , short range order , homopolar motor , materials science , diffusion , tetrahedron , order (exchange) , germanium , diffraction , chemistry , thermodynamics , silicon , physics , crystal structure , optics , metallurgy , quantum mechanics , economics , magnet , finance
A structural investigation of Ag x (Ge 0.25 Se 0.75 ) 100 − x glasses with x = 5, 15, and 25 at.% has been carried out by neutron diffraction and ab initio molecular dynamics (AIMD) simulation. A structural model for the glasses has been proposed: the Ge(Se 1/2 ) 4 tetrahedra would remain the fundamental structural units in all samples. The introduction of Ag in the Ge 0.25 Se 0.75 network would lead to a decrease in homopolar SeSe bonds and appearance of GeGe bonds. A strong evolution in the AgAg correlations upon introduction of Ag was observed with the AgAg correlation distances changing from 4.4 Å for the Ag‐poor glass to 3.0 Å for the Ag‐rich ones. Such information was used to discuss the evolution of conductivity with Ag content in these glasses.