Topological controversies in the adaptability concept for glassy germanium selenides

O. Shpotyuk, R. Golovchak, V. Boyko, M. Hyla.

Journal of Non-Crystalline Solids, vol. 357, 2011, p. 479–482.


Cluster modelling based on ab-initio calculations testifies lack of intermediate optimally-constrained phase in binary GexSe100-x system within expected reversibility window (20 ≤ x < 26) in terms of global connectivity. Network of these glasses within 20 ≤ x < 26 compositional range can be composed of overconstrained “outrigger raft” structural motives built of two edge- and four corner-shared GeSe4/2 tetrahedra interconnected via optimally-constrained ≡Ge―Se―Se―Ge≡ bridges, extra Se atoms forming ring-like configurations instead of Se―Se dimers.


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