INFLUENCE OF VACANCY DEFECTS AND IMPURITIES ON THE ELECTRONIC STRUCTURE OF TWO-DIMENSIONAL CRYSTALS OF MoS2, MoSе2, WS2 AND WSe2
Abstract
The possibility of band gap engineering by means of impurities or vacancies is investigated in two-dimensional dichalcogenide crystals of MoS2, MoSe2, WS2 and WSe2. Oxygen impurity atoms are considered to substitute chalcogen atoms or to adsorb at the surface of the crystal. The atom substitution leads to a slight increase in the energy band gap, while the adsorption of oxygen atoms at the surface decreases the gap relative to the unalloyed material. A vacancy in the position of the chalcogen atom leads to the change in the band dispersion and the appearance of additional energy levels.
About the Authors
A, V, Krivosheeva
Belarusian State University of Informatics and Radioelectronics
Belarus
Ph. D. (Physics and Mathematics), Senior researcher
Belarus
Ph. D. (Physics and Mathematics), Senior researcher
V. L. Shaposhnikov
Belarusian State University of Informatics and Radioelectronics
Belarus
Ph. D. (Physics and Mathematics), Senior researcher
Belarus
Ph. D. (Physics and Mathematics), Senior researcher
V. E. Borisenko
Belarusian State University of Informatics and Radioelectronics
Russian Federation
D. Sc. (Physics and Mathematics), Professor, Head of the Department
Russian Federation
D. Sc. (Physics and Mathematics), Professor, Head of the Department
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