Density functional theory on NV center in 4H SiC

András Csóré, A. Gali

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Paramagnetic defects in solids have become attractive systems for quantum computing as well as magnetometry in recent years. One of the leading contenders is the negatively charged nitrogen-vacancy defect (NV center) in diamond proposed to be highly promising with respect the afore-mentioned applications. In our study we investigate the NCVSi defect in 3C, 4H and 6H SiC as alternative choices with superior properties. Electronic structure of NV center in SiC exhibits S = 1 triplet ground state with the possibility of optical spin polarization. On the other hand, our results obtained by density functional theory calculations may contribute to unambiguously identify the possible defect configurations.

Original languageEnglish
Title of host publicationSilicon Carbide and Related Materials 2016
PublisherTrans Tech Publications Ltd
Pages269-274
Number of pages6
ISBN (Print)9783035710434
DOIs
Publication statusPublished - Jan 1 2017
Event11th European Conference on Silicon Carbide and Related Materials, ECSCRM 2016 - Halkidiki, Greece
Duration: Sep 25 2016Sep 29 2016

Publication series

NameMaterials Science Forum
Volume897 MSF
ISSN (Print)0255-5476

Other

Other11th European Conference on Silicon Carbide and Related Materials, ECSCRM 2016
CountryGreece
CityHalkidiki
Period9/25/169/29/16

Fingerprint

Density functional theory
density functional theory
Defects
defects
Spin polarization
Diamond
Light polarization
quantum computation
Ground state
Vacancies
magnetic measurement
Electronic structure
Diamonds
Nitrogen
diamonds
electronic structure
nitrogen
ground state
polarization
configurations

Keywords

  • 4H polytype
  • Charge transition levels
  • DFT
  • HSE06
  • Magnetooptical properties
  • NV center
  • Quantum computing
  • Qubit

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Csóré, A., & Gali, A. (2017). Density functional theory on NV center in 4H SiC. In Silicon Carbide and Related Materials 2016 (pp. 269-274). (Materials Science Forum; Vol. 897 MSF). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/MSF.897.269

Density functional theory on NV center in 4H SiC. / Csóré, András; Gali, A.

Silicon Carbide and Related Materials 2016. Trans Tech Publications Ltd, 2017. p. 269-274 (Materials Science Forum; Vol. 897 MSF).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Csóré, A & Gali, A 2017, Density functional theory on NV center in 4H SiC. in Silicon Carbide and Related Materials 2016. Materials Science Forum, vol. 897 MSF, Trans Tech Publications Ltd, pp. 269-274, 11th European Conference on Silicon Carbide and Related Materials, ECSCRM 2016, Halkidiki, Greece, 9/25/16. https://doi.org/10.4028/www.scientific.net/MSF.897.269
Csóré A, Gali A. Density functional theory on NV center in 4H SiC. In Silicon Carbide and Related Materials 2016. Trans Tech Publications Ltd. 2017. p. 269-274. (Materials Science Forum). https://doi.org/10.4028/www.scientific.net/MSF.897.269
Csóré, András ; Gali, A. / Density functional theory on NV center in 4H SiC. Silicon Carbide and Related Materials 2016. Trans Tech Publications Ltd, 2017. pp. 269-274 (Materials Science Forum).
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