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Pawar, Ravinder
Publications (2 of 2) Show all publications
Löfgren, R., Pawar, R., Öberg, S. & Larsson, A. (2019). The bulk conversion depth of the NV-center in diamond: computing a charged defect in a neutral slab. New Journal of Physics, 21, Article ID 053037.
Open this publication in new window or tab >>The bulk conversion depth of the NV-center in diamond: computing a charged defect in a neutral slab
2019 (English)In: New Journal of Physics, ISSN 1367-2630, E-ISSN 1367-2630, Vol. 21, article id 053037Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
Institute of Physics Publishing (IOPP), 2019
National Category
Other Physics Topics
Research subject
Applied Physics
Identifiers
urn:nbn:se:ltu:diva-74898 (URN)10.1088/1367-2630/ab1ec5 (DOI)000469973900007 ()2-s2.0-85069479116 (Scopus ID)
Note

Validerad;2019;Nivå 2;2019-06-24 (johcin)

Available from: 2019-06-24 Created: 2019-06-24 Last updated: 2019-08-21Bibliographically approved
Löfgren, R., Pawar, R., Öberg, S. & Larsson, A. (2015). Density functional theory calculations on the diamond nitrogen-vacancy center (ed.). Paper presented at Towards Reality in Nanoscale Materials : 09/02/2015 - 11/02/2015. Paper presented at Towards Reality in Nanoscale Materials : 09/02/2015 - 11/02/2015.
Open this publication in new window or tab >>Density functional theory calculations on the diamond nitrogen-vacancy center
2015 (English)Conference paper, Poster (with or without abstract) (Other academic)
National Category
Other Physics Topics
Research subject
Tillämpad fysik
Identifiers
urn:nbn:se:ltu:diva-31061 (URN)51b8208b-3e99-4c27-acd6-04b36de6c069 (Local ID)51b8208b-3e99-4c27-acd6-04b36de6c069 (Archive number)51b8208b-3e99-4c27-acd6-04b36de6c069 (OAI)
Conference
Towards Reality in Nanoscale Materials : 09/02/2015 - 11/02/2015
Note
Godkänd; 2015; Bibliografisk uppgift: Supercell and slab calculations with Vasp; 20150219 (roblof)Available from: 2016-09-30 Created: 2016-09-30 Last updated: 2018-02-05Bibliographically approved
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