Ab initio theory of Si-vacancy quantum Bits in 4H and 6H-SiC

Viktor Ivády, Joel Davidsson, Nguyen Tien Son, Takeshi Ohshima, Igor A. Abrikosov, Adam Gali

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

1 Citation (Scopus)


Point defects in wide band gap semiconductors have recently shown outstanding potential for implementing room temperature quantum bits and single photon emitters. These atomic scale tools can be used in various quantum information processing, sensing, and imaging applications. Silicon vacancy related photoluminescence centers in 4H, 6H, and 15R-SiC are among the most studied quantum bits that possess a particular spin-3/2 ground and excited state. The microscopic structures of these defects have been recently identified as isolated negatively charged silicon vacancy defects at the symmetrically non-equivalent silicon sites in SiC. Relying on this identification, here we carry out high precision ab initio simulations on negatively charged silicon vacancies in 4H and 6H-SiC and calculate the most important magneto-optical data, such as the zero-phonon photoluminescence energies, the zero-field-splitting, and the hyperfine tensors for the nearest and farther nuclear spins.

Original languageEnglish
Title of host publicationSilicon Carbide and Related Materials, 2017
EditorsRobert Stahlbush, Philip Neudeck, Anup Bhalla, Robert P. Devaty, Michael Dudley, Aivars Lelis
PublisherTrans Tech Publications Ltd
Number of pages6
ISBN (Print)9783035711455
Publication statusPublished - Jan 1 2018
EventInternational Conference on Silicon Carbide and Related Materials, ICSCRM 2017 - Columbia, United States
Duration: Sep 17 2017Sep 22 2017

Publication series

NameMaterials Science Forum
Volume924 MSF
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752


OtherInternational Conference on Silicon Carbide and Related Materials, ICSCRM 2017
CountryUnited States


  • Ab initio theory
  • Point defect
  • Quantum bit
  • Silicon vacancy

ASJC Scopus subject areas

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

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  • Cite this

    Ivády, V., Davidsson, J., Son, N. T., Ohshima, T., Abrikosov, I. A., & Gali, A. (2018). Ab initio theory of Si-vacancy quantum Bits in 4H and 6H-SiC. In R. Stahlbush, P. Neudeck, A. Bhalla, R. P. Devaty, M. Dudley, & A. Lelis (Eds.), Silicon Carbide and Related Materials, 2017 (pp. 895-900). (Materials Science Forum; Vol. 924 MSF). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/MSF.924.895