Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1010.1338 · New Journal of Physics

Properties of nitrogen-vacancy centers in diamond: the group theoretic approach

Jeronimo R. Maze, Ádám Gali, Emre Togan, Yiwen Chu, Alexei S. Trifonov, Efthimios Kaxiras, Mikhail D. Lukin

Published Feb 28, 2011• 463 citations
arXivHTMLPDF

Abstract

We present a procedure that makes use of group theory to analyze and predict the main properties of the negatively charged nitrogen-vacancy (NV) center in diamond. We focus on the relatively low temperature limit where both the spin–spin and spin–orbit effects are important to consider. We demonstrate that group theory may be used to clarify several aspects of the NV structure, such as ordering of the singlets in the ( e 2 ) electronic configuration and the spin–spin and spin–orbit interactions in the ( ae ) electronic configuration. We also discuss how the optical selection rules and the response of the center to electric field can be used for spin–photon entanglement schemes. Our general formalism is applicable to a broad class of local defects in solids. The present results have important implications for applications in quantum information science and nanomagnetometry.

DOI
10.1088/1367-2630/13/2/025025

Related papers

Group theoretical analysis of nitrogen-vacancy center's energy levels and selection rules

Jeronimo R. Maze, Ádám Gali, Emre Togan +4 more

We use a group theoretical approach to model the nitrogen-vacancy defect in diamond. In our analysis we clarify several properties of this defect that have been source of controversy such as the ordering of the singlets and the mechanism that leads to spin mixing in the excited state of this defect. In particular, we demonstrate that the ordering of the ground state configuration (e2) is {3A2, 1E, 1A1} and that the spin-spin interaction causes the mixing in the excited state. In addition, we analyze the angular momentum and spin properties of the excited state structure that enables a spin photon entanglement scheme that has been recently demonstrate experimentally. Our description is general and it can be easily applied to other defects in solid-state systems.

APS•Mar 1, 2010•0 citations

Photoexcitation and recombination processes of the neutral nitrogen-vacancy center in diamond from first principles

Gergő Thiering, Ádám Gali

Nitrogen-vacancy (NV) complex in diamond is one of the most prominent solid state defects as the negatively charged NV defect (NV−) is a leading contender for quantum technologies. In quantum information processing applications, NV− is photoexcited that often leads to photoionization to neutral NV defect, NV0, and re-ionization back to NV− should occur to control the S=1 spin of NV−. As a consequence, understanding the photophysics of NV0 is crucial for controlling NV−. Furthermore, recent studies have shown that the S=1/2 electron spin of NV0 can also be initialized and read out at certain conditions that turns single NV0 a potential quantum bit. Quantum optics protocols rest on detailed knowledge on the electronic structure of the given system, which is obviously missing for NV0 in diamond. In this study, we combine the group theory and density functional theory calculations toward exploring the nature of the ground and excited states of NV0. We show that the effective three-electron system of NV0 leads to high correlation effects that make this system very challenging for ab initio simulations.

Journal of Applied Physics•Aug 27, 2024•12 citations

Entanglement in Nitrogen Vacancy Centres inDiamond- a Theoretical Approach

Leya Lopez L, Supervisor Dr. Chiranjib Mitra

Group theory is used to identify analyze and predict the properties of Nitrogen Vacancy (NV) centres.This could be extended to other defects in solids.Analysis of the properties of defects through group theory helps us to explain the spin-photon entanglement in NV centres.A theoretical demonstration of entanglement between two single electron spins in separate Nitrogen Vacancy Centre is done.Future work include the possible demonstration of entanglement in NV centres inferring other coherent interactions in them.

•Apr 1, 2016•0 citations

Quantum manipulation of nitrogen -vacancy centers in diamond: From basic properties to applications

Jeronimo Maze Ríos

TThis thesis presents works not only to understand the spin degree of freedom present in the nitrogen-vacancy defect in diamond: its internal structure and its relation to its environment, but also to find novel applications of it in metrology. First, a mathematical model is develop to understand how this defect couples to a nuclear spin bath of Carbon 13 which constitutes the main dephasing mechanism in pure natural diamond. Next, we demonstrate the use of this defect to sense external oscillating magnetic fields. The high sensitivity and the small sensing volume achieved when a defect is placed in a nanocrystal of few tents of nanometers in diameter, allows this sensor to detect single electronic spins and even single nuclear spins. This sensitivity, proportional to the signal to noise per readout, can be improve by the help of the environment of this defect. We show that strongly interacting nearby nuclei can enable repetitive readout schemes to improve the signal to noise of the electronic spin signal. We also combine ideas from the microscopy community such as stimulated emission depletion to enable high spatial resolution magnetometry. Finally, we develop a formalism based on group theory to understand the internal structure of defects in solids such as their selection rules and the effect of spin-spin and spin-orbit interactions even when perturbations reduce the symmetry group of the system.

•Jan 1, 2010•12 citations

Theory of the optical spin-polarization loop of the nitrogen-vacancy center in diamond

Gergő Thiering, Ádám Gali

The nitrogen-vacancy (NV) center in diamond is of high importance in quantum information processing applications. The operation of the NV center relies on the efficient optical polarization of its electron spin. However, the full optical spin-polarization process, which involves the intersystem crossing between the shelving singlet state and the ground-state triplet, is not understood. Here we develop a detailed theory of this process which involves a combination of pseudo- and dynamic Jahn-Teller interactions together with spin-orbit interaction. Our theory provides an explanation for the asymmetry between the observed emission and absorption spectra of the singlet states. We apply density functional theory to calculate the intersystem crossing rates and the optical spectra of the singlets, and we obtain a good agreement with the experimental data. Since the NV center serves as a template for other solid-state-defect quantum bit systems, our theory provides a toolkit to study them that might help optimize their quantum bit operation.

arXiv:1803.02561•Physical review. B./Physical review. B•Aug 29, 2018•107 citations

Theory of neutral nitrogen-vacancy center in diamond and its qubit application

Ádám Gali

The negatively charged nitrogen-vacancy defect (NV)$^-$ in diamond has attracted much attention in recent years in qubit and biological applications. The negative charge is donated from nearby nitrogen donors that could limit or stem the successful application of (NV)$^-$. In this Letter, we unambiguously identify the \emph{neutral} nitrogen-vacancy defect (NV$^0$) by \emph{ab initio} supercell calculations. Our analysis shows that i) the spin state can be \emph{selectively} occupied optically, ii) the electron spin state can be manipulated by time-varying magnetic field, and iii) the spin state may be read out optically. Based on this NV$^0$ is a new hope for realizing qubit in diamond \emph{without} the need of nitrogen donors.

arXiv:0902.2387•Feb 13, 2009•0 citations
We present a procedure that makes use of group theory to analyze and predict the main properties of the negatively charged nitrogen-vacancy (NV) center in diamond. We focus on the relatively low temperature limit where both the spin–spin and spin–orbit effects are important to consider. We demonstrate that group theory may be used to clarify several aspects of the NV structure, such as ordering of the singlets in the ( e 2 ) electronic configuration and the spin–spin and spin–orbit interactions in the ( ae ) electronic configuration. We also discuss how the optical selection rules and the response of the center to electric field can be used for spin–photon entanglement schemes. Our general formalism is applicable to a broad class of local defects in solids. The present results have important implications for applications in quantum information science and nanomagnetometry.
We use a group theoretical approach to model the nitrogen-vacancy defect in diamond. In our analysis we clarify several properties of this defect that have been source of controversy such as the ordering of the singlets and the mechanism that leads to spin mixing in the excited state of this defect. In particular, we demonstrate that the ordering of the ground state configuration (e2) is {3A2, 1E, 1A1} and that the spin-spin interaction causes the mixing in the excited state. In addition, we analyze the angular momentum and spin properties of the excited state structure that enables a spin photon entanglement scheme that has been recently demonstrate experimentally. Our description is general and it can be easily applied to other defects in solid-state systems.
Nitrogen-vacancy (NV) complex in diamond is one of the most prominent solid state defects as the negatively charged NV defect (NV−) is a leading contender for quantum technologies. In quantum information processing applications, NV− is photoexcited that often leads to photoionization to neutral NV defect, NV0, and re-ionization back to NV− should occur to control the S=1 spin of NV−. As a consequence, understanding the photophysics of NV0 is crucial for controlling NV−. Furthermore, recent studies have shown that the S=1/2 electron spin of NV0 can also be initialized and read out at certain conditions that turns single NV0 a potential quantum bit. Quantum optics protocols rest on detailed knowledge on the electronic structure of the given system, which is obviously missing for NV0 in diamond. In this study, we combine the group theory and density functional theory calculations toward exploring the nature of the ground and excited states of NV0. We show that the effective three-electron system of NV0 leads to high correlation effects that make this system very challenging for ab initio simulations.
Group theory is used to identify analyze and predict the properties of Nitrogen Vacancy (NV) centres.This could be extended to other defects in solids.Analysis of the properties of defects through group theory helps us to explain the spin-photon entanglement in NV centres.A theoretical demonstration of entanglement between two single electron spins in separate Nitrogen Vacancy Centre is done.Future work include the possible demonstration of entanglement in NV centres inferring other coherent interactions in them.
TThis thesis presents works not only to understand the spin degree of freedom present in the nitrogen-vacancy defect in diamond: its internal structure and its relation to its environment, but also to find novel applications of it in metrology. First, a mathematical model is develop to understand how this defect couples to a nuclear spin bath of Carbon 13 which constitutes the main dephasing mechanism in pure natural diamond. Next, we demonstrate the use of this defect to sense external oscillating magnetic fields. The high sensitivity and the small sensing volume achieved when a defect is placed in a nanocrystal of few tents of nanometers in diameter, allows this sensor to detect single electronic spins and even single nuclear spins. This sensitivity, proportional to the signal to noise per readout, can be improve by the help of the environment of this defect. We show that strongly interacting nearby nuclei can enable repetitive readout schemes to improve the signal to noise of the electronic spin signal. We also combine ideas from the microscopy community such as stimulated emission depletion to enable high spatial resolution magnetometry. Finally, we develop a formalism based on group theory to understand the internal structure of defects in solids such as their selection rules and the effect of spin-spin and spin-orbit interactions even when perturbations reduce the symmetry group of the system.
The nitrogen-vacancy (NV) center in diamond is of high importance in quantum information processing applications. The operation of the NV center relies on the efficient optical polarization of its electron spin. However, the full optical spin-polarization process, which involves the intersystem crossing between the shelving singlet state and the ground-state triplet, is not understood. Here we develop a detailed theory of this process which involves a combination of pseudo- and dynamic Jahn-Teller interactions together with spin-orbit interaction. Our theory provides an explanation for the asymmetry between the observed emission and absorption spectra of the singlet states. We apply density functional theory to calculate the intersystem crossing rates and the optical spectra of the singlets, and we obtain a good agreement with the experimental data. Since the NV center serves as a template for other solid-state-defect quantum bit systems, our theory provides a toolkit to study them that might help optimize their quantum bit operation.
The negatively charged nitrogen-vacancy defect (NV)−^-− in diamond has attracted much attention in recent years in qubit and biological applications. The negative charge is donated from nearby nitrogen donors that could limit or stem the successful application of (NV)−^-−. In this Letter, we unambiguously identify the \emph{neutral} nitrogen-vacancy defect (NV0^00) by \emph{ab initio} supercell calculations. Our analysis shows that i) the spin state can be \emph{selectively} occupied optically, ii) the electron spin state can be manipulated by time-varying magnetic field, and iii) the spin state may be read out optically. Based on this NV0^00 is a new hope for realizing qubit in diamond \emph{without} the need of nitrogen donors.