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The bulk conversion...
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Löfgren, RobinLuleå tekniska universitet,Materialvetenskap
(author)
The bulk conversion depth of the NV-center in diamond : computing a charged defect in a neutral slab
- Article/chapterEnglish2019
Publisher, publication year, extent ...
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2019-05-29
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Institute of Physics (IOP),2019
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Numbers
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LIBRIS-ID:oai:DiVA.org:ltu-74898
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https://urn.kb.se/resolve?urn=urn:nbn:se:ltu:diva-74898URI
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https://doi.org/10.1088/1367-2630/ab1ec5DOI
Supplementary language notes
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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Validerad;2019;Nivå 2;2019-06-24 (johcin)
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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.
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Pawar, RavinderLuleå tekniska universitet,Institutionen för teknikvetenskap och matematik(Swepub:ltu)ravpaw
(author)
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Öberg, SvenLuleå tekniska universitet,Materialvetenskap(Swepub:ltu)oberg
(author)
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Larsson, AndreasLuleå tekniska universitet,Materialvetenskap(Swepub:ltu)landar
(author)
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Luleå tekniska universitetMaterialvetenskap
(creator_code:org_t)
Related titles
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In:New Journal of Physics: Institute of Physics (IOP)211367-2630
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