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Electronic Structure of Vacancy-Type Defects in Hexagonal Boron Nitride Full article

Journal Physics of the Solid State
ISSN: 1063-7834 , E-ISSN: 1090-6460
Output data Year: 2022, Volume: 64, Number: 7, Pages: 792-797 Pages count : 6 DOI: 10.21883/pss.2022.07.54582.308
Tags boron nitride (BN), photoelectron spectroscopy (XPS), quantum chemical simulation, density, functional theory (DFT).
Authors Perevalov T.V. 1 , Gritsenko V.A. 1,2 , Bukhtiyarov A.V. 3 , Prosvirin I.P. 3
Affiliations
1 Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2 Novosibirsk State Technical University, Novosibirsk, Russia
3 Boreskov Institute of Catalysis, Siberian Branch of RAS, Novosibirsk, Russia

Funding (2)

1 Ministry of Science and Higher Education of the Russian Federation FWGW-2021-0003 (121052600081-2)(0242-2021-0003)
2 Russian Foundation for Basic Research 18-57-80006 (АААА-А18-118092090072-3)

Abstract: The electronic structure of vacancy-type defects in hexagonal boron nitride (h-BN) synthesized by chemical vapor deposition, promising for microelectronics, is studied. The research is carried out using X-ray photoelectron spectroscopy and a simulation within the density functional theory. It is shown that the h-BN bombardment with argon ions leads not only to the near-surface layer cleaning from organic pollutants, but also to the generation of a high intrinsic defects concentration, mainly boron-nitrogen divacances. The greater the boron-nitrogen divacances concentration is, the longer the bombardment time is. The boron-nitrogen divacansion in h-BN is a significantly more energetically favorable defect than that of isolated boron and nitrogen vacancies. It is concluded that the most probable diamagnetic vacancy-type defects capable of participating in localization and, as a consequence, in charge transport in h-BN films is the boron-nitrogen divacancy. Keywords: boron nitride (BN), photoelectron spectroscopy (XPS), quantum chemical simulation, density functional theory (DFT).
Cite: Perevalov T.V. , Gritsenko V.A. , Bukhtiyarov A.V. , Prosvirin I.P.
Electronic Structure of Vacancy-Type Defects in Hexagonal Boron Nitride
Physics of the Solid State. 2022. V.64. N7. P.792-797. DOI: 10.21883/pss.2022.07.54582.308 РИНЦ OpenAlex
Dates:
Submitted: Mar 10, 2022
Accepted: Mar 12, 2022
Identifiers:
Elibrary: 58996916
OpenAlex: W4318064040
Citing: Пока нет цитирований
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