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)
|
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).