Vol. 30, Issue 4, pp. 691-699

Vol. 30 Issue 4 pp. 691-699

Structure of CaO-Ga2O3-GeO2 glasses: X-ray and molecular dynamics simulation studies

Padlyak Bohdan, Mudry Stepan, Halchak Volodymyr, Korolyshyn Andrij, Rybicki Jaroslaw, Witkowska Agnieszka

Abstract

The X-ray scattering data for CaO-Ga2O3-GeO2 glasses of stoichiometric compositions similar to that of calcium-gallium-germanium garnet (Ca3Ga2Ge3O12) Ca-gallogermanate (Ca3Ga2Ge4O14) and Ca3Ga2O6 crystals are presented. Experimental results show the true glass structure of the compounds under investigation. A comparative analysis of the X-ray data for glasses and their crystalline analogies has shown that the glass network consists of gallium and germanium oxygen co-ordinated octahedra and tetrahedra. The results obtained have been compared with the results of preliminary molecular dynamics (MD) calculations of the structure of CaO-Ga2O3-GeO2 glasses. The pair distribution functions (PDFs) obtained from the MD simulation, show satisfactory agreement with the X-ray data The building blocks of the CaO-Ga2O3-GeO2 glass network have been proposed. The structure peculiarities of the glasses and their crystalline analogies are discussed.

Vol. 30
Issue 4
pp. 691-699

0.39 MB
OPTICA APPLICATA - a quarterly of the Wrocław University of Science and Technology, Faculty of Fundamental Problems of Technology