Ab initio calculation of spin-orbit coupling for an NV center in diamond exhibiting dynamic Jahn-Teller effect
At a Glance
Section titled āAt a Glanceā| Metadata | Details |
|---|---|
| Publication Date | 2017-08-24 |
| Journal | Physical review. B./Physical review. B |
| Authors | GergÅ Thiering, ĆdĆ”m Gali |
| Institutions | HUN-REN Wigner Research Centre for Physics, Hungarian Academy of Sciences |
| Citations | 106 |
Abstract
Section titled āAbstractāPoint defects in solids may realize solid state quantum bits. The spin-orbit\ncoupling in these point defects plays a key role in the magneto-optical\nproperties that determine the conditions of quantum bit operation. However,\nexperimental data and methods do not directly yield this highly important data,\nparticularly, for such complex systems where dynamic Jahn-Teller (DJT) effect\ndamps the spin-orbit interaction. Here, we show for an exemplary quantum bit,\nnitrogen-vacancy (NV) center in diamond, that \emph{ab initio} supercell\ndensity functional theory provide quantitative prediction for the spin-orbit\ncoupling damped by DJT. We show that DJT is responsible for the multiple\nintersystem crossing rates of NV center at cryogenic temperatures. Our results\npave the way toward optimizing solid state quantum bits for quantum information\nprocessing and metrology applications.\n