Theory of Spin-Conserving Excitation of the N-V-Center in Diamond

A. Gali, Erik Janzén, Péter Deák, Georg Kresse, Efthimios Kaxiras

Research output: Contribution to journalArticle

100 Citations (Scopus)

Abstract

The negatively charged nitrogen-vacancy defect in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker in biomedical applications. Its usefulness relies on the ability to optically excite electrons between well-defined gap states, which requires a clear and detailed understanding of the relevant states and excitation processes. Here we show that by using hybrid density-functional-theory calculations in a large supercell we can reproduce the zero-phonon line and the Stokes and anti-Stokes shifts, yielding a complete picture of the spin-conserving excitation of this defect.

Original languageEnglish
Article number186404
JournalPhysical Review Letters
Volume103
Issue number18
DOIs
Publication statusPublished - Oct 27 2009

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diamonds
defects
quantum computation
markers
excitation
density functional theory
nitrogen
shift
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Theory of Spin-Conserving Excitation of the N-V-Center in Diamond. / Gali, A.; Janzén, Erik; Deák, Péter; Kresse, Georg; Kaxiras, Efthimios.

In: Physical Review Letters, Vol. 103, No. 18, 186404, 27.10.2009.

Research output: Contribution to journalArticle

Gali, A. ; Janzén, Erik ; Deák, Péter ; Kresse, Georg ; Kaxiras, Efthimios. / Theory of Spin-Conserving Excitation of the N-V-Center in Diamond. In: Physical Review Letters. 2009 ; Vol. 103, No. 18.
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