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:1003.1754 · Proceedings of the National Academy of Sciences

Quantum computing with defects

Justin R. Weber, William F. Koehl, Joel Basile Varley, Anderson Janotti, Bob B. Buckley, Chris G. Van de Walle, D. D. Awschalom

Published Apr 19, 2010• 822 citations
arXivHTMLPDF

Abstract

Identifying and designing physical systems for use as qubits, the basic units of quantum information, are critical steps in the development of a quantum computer. Among the possibilities in the solid state, a defect in diamond known as the nitrogen-vacancy (NV(-1)) center stands out for its robustness--its quantum state can be initialized, manipulated, and measured with high fidelity at room temperature. Here we describe how to systematically identify other deep center defects with similar quantum-mechanical properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate defect systems. To illustrate these points in detail, we compare electronic structure calculations of the NV(-1) center in diamond with those of several deep centers in 4H silicon carbide (SiC). We then discuss the proposed criteria for similar defects in other tetrahedrally coordinated semiconductors.

DOI
10.1073/pnas.1003052107

Related papers

\emph{Ab initio} theory of nitrogen-vacancy center in diamond

Ádám Gali

Nitrogen-vacancy center in diamond is a solid state defect qubit with favorable coherence time up to room temperature which could be harnessed in several quantum enhanced sensor and quantum communication applications, and has a potential in quantum simulation and computing. The quantum control largely depends on the intricate details about the electronic structure and states of the nitrogen-vacancy center, radiative and non-radiative rates between these states and the coupling of these states to external spins, electrical, magnetic and strain fields and temperature. In this review paper it is shown how first principles calculations contributed to understanding the properties of nitrogen-vacancy center, and will be briefly discussed the issues to be solved towards full \emph{ab initio} description of solid state defect qubits.

arXiv:1906.00047•May 31, 2019•0 citations

Ab initio theory of the nitrogen‐vacancy center in diamond

Ádám Gali

Abstract The nitrogen‐vacancy (NV) center in diamond is a solid‐state defect qubit with favorable coherence time up to room temperature, which could be harnessed in several quantum‐enhanced sensor and quantum communication applications, and has a potential in quantum simulation and computing. The quantum control largely depends on the intricate details about the electronic structure and states of the NV center, the radiative and nonradiative rates between these states, and the coupling of these states to external spins, electric, magnetic, and strain fields, and temperature. This review shows how first‐principles calculations contributed to understanding the properties of the NV center and briefly discusses the issues to be solved toward the full ab initio description of solid‐state defect qubits.

Nanophotonics•Jun 1, 2018•291 citations

Identifying high performance spectrally-stable quantum defects in diamond

Yihuang Xiong, Yizhi Zhu, Shay McBride +2 more

Point defects in semiconductors are becoming central to quantum technologies. They can be used as spin qubits interfacing with photons, which are fundamental for building quantum networks. Currently, the most prominent quantum defect in diamond is the nitrogen-vacancy (NV) center. However, it suffers from spectral diffusion that negatively impacts optical coherence and is due to the coupling of the emission energy with uncontrolled electric fields. The group IV vacancy complexes on the other hand have shown to be significantly more spectrally-stable as they are centrosymmetric and thus immune to the linear Stark shift. They however suffer from several issues ranging from low operation temperature to low optical efficiency due to dark states and difficulty in stabilizing the right defect charge state. Here we search for alternative to the group IV vacancy complex in diamond by systematically evaluating all possible vacancy complex using high-throughput first-principles computational screening. We identify the defects that combine centrosymmetry, emission in the visible range, as well as favorable and achievable electronic structure promoting higher operation temperature and defect levels well within the band gap. We find Zn$V^{-2}$ to be especially appealing.

arXiv:2504.11598•Apr 15, 2025•0 citations

Single Defects in Semiconductors for Quantum Information Processing and Sensing

David J. Christle

This thesis describes studies on atomic point defects in semiconductors for applications in quantum information. In particular, its focus is on defects whose energy levels reside deep within the bandgap certain semiconductors because these systems can behave like artificial trapped atoms in the solid state, possessing optical addressability, long coherence times, and the ability to be manipulated at microwave frequencies. The most prominent defect in this field of study is the diamond nitrogen-vacancy center, whose functionality is well-known to persist to ambient temperature. The first part of this thesis investigates the persistence of this functionality to temperatures upwards of 600 K. Importantly, these investigations also demonstrate that the diamond nitrogen-vacancy center can be a sensitive thermometer (~10 mK/Hz^(1/2)) over a wide range of temperatures with nanoscale spatial resolution. The latter part of the thesis describes experimental measurements of divacancy defects in silicon carbide, a potential alternative materials host to diamond with established wafer-scale growth and microfabrication capabilities. Single divacancy spins are isolated and coherently controlled for the first time in the 4H polytype of silicon carbide, and the divacancy's coherence is shown to be a remarkably long T2 = 1.2 ms at T = 20 K. The last chapter extends these results by isolating single divacancies in the 3C polytype, experimentally demonstrating a qualitative and quantitative model of their spin and orbital dynamics, and revealing the divacancy's excited state level structure in both the 3C and 4H polytypes using resonant laser techniques. These excited state transitions are shown to posses a structure identical to the diamond nitrogen-vacancy center and a subset are shown to have favorable cycling properties. The location of a clear spin-photon interface has important implications for high-fidelity quantum state readout and photon-based entanglement schemes that use divacancy spins.

•Jan 1, 2016•1 citation

Computation-aided design of color centers for quantum information processing

Song Li, Ádám Gali, Bing Qiang Huang

Optically addressable point defects in semiconductors, such as the nitrogen-vacancy (NV) center in diamond, are promising candidates for quantum information processing. However, the NV center suffers from low emission efficiency in the zero-phonon line, a limitation that has motivated the development of alternative defect systems. Since exhaustive experimental discovery is impractical, recent advances have relied on computational methods to analyze defect parameters and design color centers with tailored properties. This perspective reviews recent progress in computational methods for the theoretical characterization of color centers, highlighting workflows and toolkits for their theoretical design, and discusses remaining challenges in the field.

Newton•Mar 3, 2026•1 citation

Manipulating a defect in diamond

Jelena Stajic

Quantum Information Like magnetic storage in today's classical computers, tiny “magnets” associated with electronic and nuclear states—spins—are promising qubits (quantum bits) for the future. Electronic spins in special defects in diamond called nitrogen-vacancy (NV) centers are one example. Whereas most applications focus on the least energetic (ground) state of an NV center, Bassett et al. explored the properties of the higher-energy (excited) state (see the Perspective by Childress). They used light pulses to bring the system into the excited state and to vary the time it stayed there. In this way, they could both deduce the electronic structure of the excited state and manipulate the ground state spin. Similar methods may be applicable to other quantum information systems. Science , this issue p. [1333][1]; see also p. [1247][2] [1]: /lookup/doi/10.1126/science.1255541 [2]: /lookup/doi/10.1126/science.1257840

Science•Sep 11, 2014•0 citations
Identifying and designing physical systems for use as qubits, the basic units of quantum information, are critical steps in the development of a quantum computer. Among the possibilities in the solid state, a defect in diamond known as the nitrogen-vacancy (NV(-1)) center stands out for its robustness--its quantum state can be initialized, manipulated, and measured with high fidelity at room temperature. Here we describe how to systematically identify other deep center defects with similar quantum-mechanical properties. We present a list of physical criteria that these centers and their hosts should meet and explain how these requirements can be used in conjunction with electronic structure theory to intelligently sort through candidate defect systems. To illustrate these points in detail, we compare electronic structure calculations of the NV(-1) center in diamond with those of several deep centers in 4H silicon carbide (SiC). We then discuss the proposed criteria for similar defects in other tetrahedrally coordinated semiconductors.
Nitrogen-vacancy center in diamond is a solid state defect qubit with favorable coherence time up to room temperature which could be harnessed in several quantum enhanced sensor and quantum communication applications, and has a potential in quantum simulation and computing. The quantum control largely depends on the intricate details about the electronic structure and states of the nitrogen-vacancy center, radiative and non-radiative rates between these states and the coupling of these states to external spins, electrical, magnetic and strain fields and temperature. In this review paper it is shown how first principles calculations contributed to understanding the properties of nitrogen-vacancy center, and will be briefly discussed the issues to be solved towards full \emph{ab initio} description of solid state defect qubits.
Abstract The nitrogen‐vacancy (NV) center in diamond is a solid‐state defect qubit with favorable coherence time up to room temperature, which could be harnessed in several quantum‐enhanced sensor and quantum communication applications, and has a potential in quantum simulation and computing. The quantum control largely depends on the intricate details about the electronic structure and states of the NV center, the radiative and nonradiative rates between these states, and the coupling of these states to external spins, electric, magnetic, and strain fields, and temperature. This review shows how first‐principles calculations contributed to understanding the properties of the NV center and briefly discusses the issues to be solved toward the full ab initio description of solid‐state defect qubits.
Point defects in semiconductors are becoming central to quantum technologies. They can be used as spin qubits interfacing with photons, which are fundamental for building quantum networks. Currently, the most prominent quantum defect in diamond is the nitrogen-vacancy (NV) center. However, it suffers from spectral diffusion that negatively impacts optical coherence and is due to the coupling of the emission energy with uncontrolled electric fields. The group IV vacancy complexes on the other hand have shown to be significantly more spectrally-stable as they are centrosymmetric and thus immune to the linear Stark shift. They however suffer from several issues ranging from low operation temperature to low optical efficiency due to dark states and difficulty in stabilizing the right defect charge state. Here we search for alternative to the group IV vacancy complex in diamond by systematically evaluating all possible vacancy complex using high-throughput first-principles computational screening. We identify the defects that combine centrosymmetry, emission in the visible range, as well as favorable and achievable electronic structure promoting higher operation temperature and defect levels well within the band gap. We find ZnV−2V^{-2}V−2 to be especially appealing.
This thesis describes studies on atomic point defects in semiconductors for applications in quantum information. In particular, its focus is on defects whose energy levels reside deep within the bandgap certain semiconductors because these systems can behave like artificial trapped atoms in the solid state, possessing optical addressability, long coherence times, and the ability to be manipulated at microwave frequencies. The most prominent defect in this field of study is the diamond nitrogen-vacancy center, whose functionality is well-known to persist to ambient temperature. The first part of this thesis investigates the persistence of this functionality to temperatures upwards of 600 K. Importantly, these investigations also demonstrate that the diamond nitrogen-vacancy center can be a sensitive thermometer (~10 mK/Hz^(1/2)) over a wide range of temperatures with nanoscale spatial resolution. The latter part of the thesis describes experimental measurements of divacancy defects in silicon carbide, a potential alternative materials host to diamond with established wafer-scale growth and microfabrication capabilities. Single divacancy spins are isolated and coherently controlled for the first time in the 4H polytype of silicon carbide, and the divacancy's coherence is shown to be a remarkably long T2 = 1.2 ms at T = 20 K. The last chapter extends these results by isolating single divacancies in the 3C polytype, experimentally demonstrating a qualitative and quantitative model of their spin and orbital dynamics, and revealing the divacancy's excited state level structure in both the 3C and 4H polytypes using resonant laser techniques. These excited state transitions are shown to posses a structure identical to the diamond nitrogen-vacancy center and a subset are shown to have favorable cycling properties. The location of a clear spin-photon interface has important implications for high-fidelity quantum state readout and photon-based entanglement schemes that use divacancy spins.
Optically addressable point defects in semiconductors, such as the nitrogen-vacancy (NV) center in diamond, are promising candidates for quantum information processing. However, the NV center suffers from low emission efficiency in the zero-phonon line, a limitation that has motivated the development of alternative defect systems. Since exhaustive experimental discovery is impractical, recent advances have relied on computational methods to analyze defect parameters and design color centers with tailored properties. This perspective reviews recent progress in computational methods for the theoretical characterization of color centers, highlighting workflows and toolkits for their theoretical design, and discusses remaining challenges in the field.
Quantum Information Like magnetic storage in today's classical computers, tiny “magnets” associated with electronic and nuclear states—spins—are promising qubits (quantum bits) for the future. Electronic spins in special defects in diamond called nitrogen-vacancy (NV) centers are one example. Whereas most applications focus on the least energetic (ground) state of an NV center, Bassett et al. explored the properties of the higher-energy (excited) state (see the Perspective by Childress). They used light pulses to bring the system into the excited state and to vary the time it stayed there. In this way, they could both deduce the electronic structure of the excited state and manipulate the ground state spin. Similar methods may be applicable to other quantum information systems. Science , this issue p. [1333][1]; see also p. [1247][2] [1]: /lookup/doi/10.1126/science.1255541 [2]: /lookup/doi/10.1126/science.1257840