Abstract
The influence of boron and nitrogen vacancies and divacancies on the electronic structure of a hexagonal boron nitride h-BN monolayer is studied. In the presence of vacancies in the structure, the introduced states appear in the forbidden band. The position of an introduced state with respect to the upper occupied level and the lower vacant level depends on deformation. Calculations show that, depending on the defect type and the magnitude of the applied deformation, the introduced state can be both localized and not localized on atoms surrounding the defect. When the state is localized in the system, the inhomogeneous distribution of the spin density is observed, resulting in the appearance of the magnetic moment in the system.
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Original Russian Text © M.V. Serzhantova, A.A. Kuzubov, A.S. Fedorov, P.O. Krasnov, F.N. Tomilin, 2011, published in Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2011, Vol. 139, No. 4, pp. 764–768.
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Serzhantova, M.V., Kuzubov, A.A., Fedorov, A.S. et al. Theoretical study of the influence of vacancies on the electronic structure of a hexagonal boron nitride monolayer. J. Exp. Theor. Phys. 112, 664–667 (2011). https://doi.org/10.1134/S1063776111030150
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DOI: https://doi.org/10.1134/S1063776111030150