Theory of Spin-Conserving Excitation of the N-V Center in Diamond
- Author(s)
- Adam Gali, Erik Janzen, Péter Deák, Georg Kresse, Efthimios Kaxiras
- 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.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Budapest University of Technology and Economics, Linköping University, Universität Bremen, Harvard University
- Journal
- Physical Review Letters
- Volume
- 103
- No. of pages
- 4
- ISSN
- 0031-9007
- DOI
- https://doi.org/10.1103/PhysRevLett.103.186404
- Publication date
- 2009
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/db314bf2-7dd3-47c8-a975-b29cd9224683