A new cation-interlinking network cluster approach was proposed in order to describe various types of glass-forming structural units in network covalent-bonded solids such as vitreous chalcogenide semiconductors. Within this approach, two (or three) interconnected cation-centered polyhedra formed more stretched structural fragments provisionally named atomic clusters, reflecting in such a way whole backbone of covalent-bonded semiconductor multiply duplicated in a space. The probability of possible atomic clusters was estimated with numerical parameter giving average formation energy in respect to the number of atoms involved in the cluster and average coordination number. This approach was probed at the example of regular network clusters based on AsS3/2 pyramids mutually-interconnected through bridge -S- atom contrasted with irregular double-bond-based quasi-tetrahedral structural S = AsS3 defects within binary As-S system. The corresponding mathematical calculations confirmed a preference of regularly-linked structural units over irregular ones.

Cation-Interlinking Network Cluster Approach in Application to Extended Defects in Covalent-Bonded Glassy Semiconductors. O.Shpotyuk, V.Boyko, M.Hyla: Physica Status Solidi C, 2009, 6[8], 1882-5