Spatial and Hyperfine Characteristics of SiV– and SiV0 Color Centers in Diamond: DFT Simulation

A. P. Nizovtsev, S. Ya Kilin, A. L. Pushkarchuk, S. A. Kuten, N. A. Poklonski, Dominik L. Michels, Dmitry Lyakhov, F. Jelezko

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


Abstract: One of the most promising platforms to implement quantum technologies are coupled electron-nuclear spins in diamond in which the electrons of paramagnetic color centers play a role of “fast” qubits, while nuclear spins of nearby 13C atoms can store quantum information for a very long time due to their exceptionally high isolation from the environment. Essential prerequisite for a high-fidelity spin manipulation in these systems with tailored control pulse sequences is a complete knowledge of hyperfine interactions. Development of this understanding for the negatively charged “silicon-vacancy” (SiV–) and neutral (SiV0) color center, is a primary goal of this article, where we are presenting shortly our recent results of computer simulation of spatial and hyperfine characteristics of these SiV centers in H-terminated cluster C128[SiV]H98 along with their comparison with available experimental data.
Original languageEnglish (US)
Pages (from-to)1685-1688
Number of pages4
Issue number12
StatePublished - Dec 4 2020

Bibliographical note

KAUST Repository Item: Exported on 2020-12-16
Acknowledgements: This work has been supported in part by Belarusian Republican Foundation for Fundamental Research, grants no. FMS-036, and by National Research Nuclear University “MEPhI” (Moscow Engineering Physics Institute).


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