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Structural-topological genesis of network-forming nanoclusters in chalcogenide semiconductor glasses

O. SHPOTYUK1,2, M. HYLA2, V. BOYKO1

Affiliation

  1. Lviv Institute of Materials of SRC “Carat”, 202, Stryjska str., Lviv, 79031, Ukraine
  2. Institute of Physics of Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-201 Czestochowa, Poland

Abstract

New simulation methodology to justify glass-forming trends in covalent-bonded networks like chalcogenide semiconductor glasses known as cation-interlinking network cluster approach (CINCA) was developed. Topological peculiarities of network glass-forming nanoclustering in binary As-S system are illustrated at the example of As2S4 base clusters with As4/3S3 intracluster cores interconnected by inter-cluster chalcogen bridges of equal lengths. Numerical criteria to evaluate clusterforming ability were probed at the example of interlinked tetrahedral GeS(Se)4/2-based clusters typical for binary Ge-S/Se glass formers..

Keywords

Quantum-chemical ab initio calculations, Structure, Cluster, Chalcogenide glass, Network topology.

Submitted at: Jan. 22, 2013
Accepted at: Nov. 7, 2013

Citation

O. SHPOTYUK, M. HYLA, V. BOYKO, Structural-topological genesis of network-forming nanoclusters in chalcogenide semiconductor glasses, Journal of Optoelectronics and Advanced Materials Vol. 15, Iss. 11-12, pp. 1429-1437 (2013)