Investigation of medium range order in silicate glasses by infrared spectroscopy

A new decomposition method of infrared spectra which takes into account the configurational and dynamical origins of the disorder allows retrieving structural information on short and medium range orders in potassium silicate glasses. The distribution of tetrahedral units, the occupation of cation s...

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Bibliographic Details
Published in:Vibrational spectroscopy 2013-03, Vol.65, p.50-57
Main Authors: De Sousa Meneses, Domingos, Eckes, Myriam, del Campo, Leire, Santos, Cristiane N., Vaills, Yann, Echegut, Patrick
Format: Article
Language:English
Subjects:
Bridging
Cations
Glass
Infrared spectroscopy
Medium range order
Networks
Occupation
Potassium silicate glass
Silicates
Silicon dioxide
Three dimensional
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Summary:A new decomposition method of infrared spectra which takes into account the configurational and dynamical origins of the disorder allows retrieving structural information on short and medium range orders in potassium silicate glasses. The distribution of tetrahedral units, the occupation of cation sites, the ratio of SiO bond ionicities involving bridging and non bridging oxygen, and a measure of the impact of low frequency floppy modes on the high frequency dynamics are byproducts of the modeling process. The composition dependence of two vibrational modes clearly identified as spectral components signing medium range order, shows that the disruption of the silicate network follows selective schemes. The 3D silica like network completely disappears in glasses with K2O amounts greater than 11mol% and above this threshold a progressive appearance of 2D silicate sheets is evidenced.
ISSN:0924-2031
1873-3697
DOI:10.1016/j.vibspec.2012.11.015