DFT Simulation of Electronic and Spin Properties of GeV– Color Center in Volume and Near-Surface of Nanodiamond for Temperature Sensor Applications
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ArticleAuthors
Pushkarchuk, A. L.Nizovtsev, A. P.
Kilin, S. Ya
Kuten, S. A.
Pushkarchuk, V. A.
Michels, Dominik L.
Lyakhov, Dmitry

Jelezko, F.
KAUST Department
Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) DivisionComputer Science Program
Visual Computing Center (VCC)
Date
2020-12-04Embargo End Date
2021-12-04Submitted Date
2020-06-23Permanent link to this record
http://hdl.handle.net/10754/666355
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Abstract: The “germanium-vacancy” (GeV) center in diamond can be used as Temperature Sensors. The idea of GeV-based thermometry is based on optical measurements of the spectral shift of the zero-phonon line and its spectral width as a function of temperature changes. At the same time optical characteristics of GeV center which is located near-surface could be modified by formation of defect states in the band gap based on surface impurities and dangling bonds. The electronic structure of the GeV center determines its optical properties. The goal of this study was to investigate comparatively the geometric characteristics and electronic structure of the GeV center in the volume and near-surface (100) of nanodiamond in cluster approximation. It was shown for the first time that formation of isolated dangling bond on the (100) diamond surface leads to formation of unoccupied state in the band gap in vicinity of 1 eV, which is located on the distance of 1.9 eV of conduction band edge. This state in the band gap may influence optical properties of GeV in diamond.Citation
Pushkarchuk, A. L., Nizovtsev, A. P., Kilin, S. Y., Kuten, S. A., Pushkarchuk, V. A., Michels, D., … Jelezko, F. (2020). DFT Simulation of Electronic and Spin Properties of GeV– Color Center in Volume and Near-Surface of Nanodiamond for Temperature Sensor Applications. Semiconductors, 54(12), 1725–1727. doi:10.1134/s1063782620120325Sponsors
The work has been supported in part by the Belarus State Scientific Program “Convergence-2020” and as well by the Belarus RFFI.Publisher
Pleiades Publishing LtdJournal
SemiconductorsAdditional Links
http://link.springer.com/10.1134/S1063782620120325ae974a485f413a2113503eed53cd6c53
10.1134/S1063782620120325