Modeling of chalcogenide glass structures before and after laser illumination, based on mass spectroscopy data

Andrei M. Andriesh; Arthur I. Buzdugan; Valentin Dolghier; Mihai S. Iovu

doi:10.1117/12.312761

2 July 1998 Modeling of chalcogenide glass structures before and after laser illumination, based on mass spectroscopy data

Andrei M. Andriesh, Arthur I. Buzdugan, Valentin Dolghier, Mihai S. Iovu

Author Affiliations +

Proceedings Volume 3405, ROMOPTO '97: Fifth Conference on Optics; (1998) https://doi.org/10.1117/12.312761
Event: ROMOPTO '97: Fifth Conference on Optics, 1997, Bucharest, Romania

Abstract

In this communication we present the results of computational modeling of molecular units as As_mS_n registered by mass spectrometry in the As₂S₃:Sn_x glasses before and after laser illumination. Using HyperChem Computational Chemistry program we obtained 3D structures, with global minimum energy conformation for following molecules: As₄ (3.47); S₈ (4.44); As₄S₃ (11.87); As₂S₅ (14.36); As₂S₄ (17.62); As₂S₆ (19.11); As₄S₄ (21.88); As₄S₅ (24.98); As₂S₃ (25.81); As₄S₆ (43.13). The model of the As₂S₃:Sn_0.1 glasses, using 200 As atoms, 300 S atoms and 10 Sn atoms for computational modeling, is presented too. Such model shows that a tin atom may be bonded in two ways: when the tin atoms are common for two rings with 12 atoms and when the tin atom are bonded between the layer of the glassy network. When the tin atom are insert in the network rings for 12 atoms the structural model shows the more compact packing of the atoms.

Citation Download Citation

Andrei M. Andriesh, Arthur I. Buzdugan, Valentin Dolghier, and Mihai S. Iovu "Modeling of chalcogenide glass structures before and after laser illumination, based on mass spectroscopy data", Proc. SPIE 3405, ROMOPTO '97: Fifth Conference on Optics, (2 July 1998); https://doi.org/10.1117/12.312761

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