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Proceedings Paper

Mechanism of the ZnGa2S4 monolayer formation on an NaCl surface
Author(s): N. Popovich; V. Zhikharev; N. I. Dovgoshej; I. E. Kacher
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Paper Abstract

The calculations are carried out by the use of semiempirical methods of molecular orbital local combination of atom orbital. The calculations results show that Zn will deposit more probable on interstitial sites on 1.5 angstroms distances from the substratum surface with 0.3 eV bond energy, and its position is energetically instable. For Ga atoms, beside interstitial sites (r0 equals 0.5 angstroms, E0 equals -2.3 eV) there are NaCl lattice sites and bond center (r0 equals 1.5 angstroms, E0 equals -1.8 eV). The S atoms will trap by the crystalline lattice sites with 5.0 - 5.5 eV bond energy at 2.5 angstroms distance. Moreover, its penetration to monolayer surface through interstitial sites at r0 equals 4 angstroms distance is possible. In spite of Zn at ZnGa2S4 compound sputtering evaporates the most effectively, the probability of its deposition in the first layer on NaCl substratum is low. Ga and S atoms will substitute Zn atoms, which transit inside lattice or to the next monolayers. The Ga2S structure formation with S localization on sites and Ga in interstitial sites of NaCl lattice is expected.

Paper Details

Date Published: 20 April 1998
PDF: 5 pages
Proc. SPIE 3359, Optical Diagnostics of Materials and Devices for Opto-, Micro-, and Quantum Electronics 1997, (20 April 1998); doi: 10.1117/12.306197
Show Author Affiliations
N. Popovich, Uzghorod State Univ. (Ukraine)
V. Zhikharev, Uzghorod State Univ. (Ukraine)
N. I. Dovgoshej, Uzghorod State Univ. (Ukraine)
I. E. Kacher, Uzghorod State Univ. (Ukraine)

Published in SPIE Proceedings Vol. 3359:
Optical Diagnostics of Materials and Devices for Opto-, Micro-, and Quantum Electronics 1997
Sergey V. Svechnikov; Mikhail Ya. Valakh, Editor(s)

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