Mechanism of the ZnGa2S4 monolayer formation on an NaCl surface

N. Popovich; V. Zhikharev; N. I. Dovgoshej; I. E. Kacher

doi:10.1117/12.306197

20 April 1998 Mechanism of the ZnGa₂S₄monolayer formation on an NaCl surface

N. Popovich, V. Zhikharev, N. I. Dovgoshej, I. E. Kacher

Proceedings Volume 3359, Optical Diagnostics of Materials and Devices for Opto-, Micro-, and Quantum Electronics 1997; (1998) https://doi.org/10.1117/12.306197
Event: International Conference on Optical Diagnostics of Materials and Devices for Opto-, Micro-, and Quantum Electronics, 1997, Kiev, Ukraine

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.

Citation Download Citation

N. Popovich, V. Zhikharev, N. I. Dovgoshej, and I. E. Kacher "Mechanism of the ZnGa₂S₄monolayer formation on an NaCl surface", Proc. SPIE 3359, Optical Diagnostics of Materials and Devices for Opto-, Micro-, and Quantum Electronics 1997, (20 April 1998); https://doi.org/10.1117/12.306197

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KEYWORDS

Chemical species

Gallium

Zinc

Chlorine

Adsorption

Crystals

Selenium

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