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

Autor(en)

Adam Gali, Erik Janzen, Péter Deák, Georg Kresse, Efthimios Kaxiras

Abstrakt

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(en)

Computergestützte Materialphysik

Externe Organisation(en)

Budapest University of Technology and Economics, Linköping University, Universität Bremen, Harvard University

Journal

Physical Review Letters

Band

103

Anzahl der Seiten

4

ISSN

0031-9007

DOI

https://doi.org/10.1103/PhysRevLett.103.186404

Publikationsdatum

2009

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/db314bf2-7dd3-47c8-a975-b29cd9224683