Semiconductor Physics, Quantum Electronics & Optoelectronics, 23 (1), P. 66-70 (2020).

Metal vacancies in Cd1-xZnxS quantum dots
I.M. Kupchak1, D.V. Korbutyak1, N.F. Serpak2, A. Shkrebtii3

1V. Lashkaryov Institute of Semiconductor Physics, NAS of Ukraine 45, prospect Nauky, 03680 Kyiv, Ukraine,
2National Pirogov Memorial Medical University, 56, Pyrohova str., 21018 Vinnytsia, Ukraine
3Ontario Tech University, 2000 Simcoe St. N., Oshawa, ON, L1G 0C5, Canada E-mail:

Abstract. Structural and electronic characteristics of metal vacancies in nanocrystals Cd1–xZnxS have been studied within the density functional method. The electron state density and vacancy formation energy have been calculated, and an analysis of structural relaxation has been performed. With these theoretical findings and available experimental data, we have concluded that the vacancies of cadmium are the possible centers of radiative recombination in these structures.

Keywords: cadmium sulfide, nanocrystal, photoluminescence, vacancy, density functional method.

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