SwePub - sökning: id:"swepub:oai:DiVA.org:ltu-74...

Numrering	Referens	Omslagsbild	Hitta
1.	Löfgren, Robin, et al. (författare) The bulk conversion depth of the NV-center in diamond : computing a charged defect in a neutral slab 2019 Ingår i: New Journal of Physics. - : Institute of Physics (IOP). - 1367-2630. ; 21 Tidskriftsartikel (refereegranskat)abstract The negatively charged nitrogen vacancy (NV-) center in diamond has properties that make it a promising candidate for applications such as a qubit in room temperature quantum computing, single-molecule photoluminescence and NMR sensor, and as a single photon source for quantum cryptography. For many of its uses it is desirable to have the NV-center close to the diamond surface. In this work, we use density functional theory simulations to investigate how the distance of the NV- center to a surface, and its orientation, affect its properties, including the zero-phonon-line. We study the three technologically important surfaces terminated with fluorine, oxygen/hydroxyl and nitrogen. Since the NV-center is charged it requires special measures to simulate within a slab-model. We use the recently proposed charging with a substitutional donor in the diamond lattice resulting in a neutral super-cell, which provides very satisfactory results. We have found that the NV-centers properties converge to bulk values already at 5 angstrom depth.

Löfgren, Robin, et al. (författare)
The bulk conversion depth of the NV-center in diamond : computing a charged defect in a neutral slab
2019
Ingår i: New Journal of Physics. - : Institute of Physics (IOP). - 1367-2630. ; 21
Tidskriftsartikel (refereegranskat)abstract
- The negatively charged nitrogen vacancy (NV-) center in diamond has properties that make it a promising candidate for applications such as a qubit in room temperature quantum computing, single-molecule photoluminescence and NMR sensor, and as a single photon source for quantum cryptography. For many of its uses it is desirable to have the NV-center close to the diamond surface. In this work, we use density functional theory simulations to investigate how the distance of the NV- center to a surface, and its orientation, affect its properties, including the zero-phonon-line. We study the three technologically important surfaces terminated with fluorine, oxygen/hydroxyl and nitrogen. Since the NV-center is charged it requires special measures to simulate within a slab-model. We use the recently proposed charging with a substitutional donor in the diamond lattice resulting in a neutral super-cell, which provides very satisfactory results. We have found that the NV-centers properties converge to bulk values already at 5 angstrom depth.

Träfflista för sökning "id:"swepub:oai:DiVA.org:ltu-74898" "