Ab-initio theory of nuclear spin flip processes within NV center of diamond*

SDS (zero-field), (SAI) hyperfine and (IQI) quadrupolar tensors of NV (nitrogen vacancy) are both extensively measured and theoretically modeled before already[1,2]. All of these tensors depict the interactions between electronic (S) and nuclear (I) spin. ¹⁴N nuclei spins are usually treated devoid from relaxation processes during timeframes of optical cycles. However, optical pumping into the ³E excited state offers additional ΔI=±1,±2 flipping channels via orbital coupling of the quadrupolar (Q) tensor. In conjunction with experimental work under resonant optical excitation at cryogenic conditions we theoretically model the possible spin-flip processes acting within the ³E excited state. In summary, in the present talk I will show that the strength of such processes can be predicted directly from first principles supporting the experimental observations [3].

[1] M. W. Doherty et al. Physics Reports 528.1 (2013): 1-45.

[2] J. R. Maze, et al. New Journal of Physics 13.2 (2011): 025025.

[3] R. Monge, T. Delord, G. Thiering, A. Gali, C. A. Meriles, “Resonant versus non-resonant spin readout of a nitrogen-vacancy center in diamond under cryogenic conditions”, submitted. https://cmeriles.ccny.cuny.edu/?page_id=523