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.
Highlights
The “germanium-vacancy” (GeV) center in diamond by analogy with the well-known “nitrogen-vacancy” (NV) center can be used for integrated quantum-optical and quantum-information systems including remarkable Temperature Sensors [1,2,3]
At the same time optical characteristics of the GeV center which is located nearsurface could be modified by formation of defect states in the band gap based on surface impurities and dangling bonds
Methods and basic results Here we are presenting the analysis of results of computer simulation for the negatively charged GeV- color center using density functional theory (DFT) to elucidate spatial structure and electronic properties for the “volume” H-terminated diamond-like cluster C69[GeV-]H84 containing 69 carbon atoms hosting the GeVcenter in its central part and 84 hydrogen atoms which saturate dangling bonds on the surface of volume cluster (Fig. 1a)
Summary
The “germanium-vacancy” (GeV) center in diamond by analogy with the well-known “nitrogen-vacancy” (NV) center can be used for integrated quantum-optical and quantum-information systems including remarkable Temperature Sensors [1,2,3]. At the same time optical characteristics of the GeV center which is located nearsurface could be modified by formation of defect states in the band gap based on surface impurities and dangling bonds. As mentioned in [4], the geometry and optical properties of a single color centers positioned in the vicinity of a diamond surface using different surface termination species remain poorly understood, despite theoretical and experimental studies on the effects of different surface defects on the PL of color centers near a diamond surface. As noted above the electronic structure of the GeV center determines of its optical properties. For this reason, the goal of this study was to investigate comparatively the geometric characteristics and electronic structure of the GeV center located in the volume and near (100) surface of nanodiamond. The (100) surface was chosen because at present, it is the most often employed and promising of diamond surfaces
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
