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:1701.05631 · Physical review. B./Physical review. B

Strain broadening of the 1042-nm zero phonon line of the NV− center in diamond: A promising spectroscopic tool for defect tomography

Timur Biktagirov, Alexander N. Smirnov, Валерий Александрович Давыдов, Marcus W. Doherty, Audrius Alkauskas, Brant C. Gibson, V. A. Soltamov

Published Aug 18, 2017• 16 citations
arXivHTMLPDF

Abstract

The negatively charged nitrogen-vacancy $({\mathrm{NV}}^{\ensuremath{-}})$ center in diamond is a promising candidate for many quantum applications. Here, we examine the splitting and broadening of the center's infrared (IR) zero-phonon line (ZPL). We develop a model for these effects that accounts for the strain induced by photodependent microscopic distributions of defects. We apply this model to interpret observed variations of the IR ZPL shape with temperature and photoexcitation conditions. We identify an anomalous temperature-dependent broadening mechanism and that defects other than the substitutional nitrogen center significantly contribute to strain broadening. The former conclusion suggests the presence of a strong Jahn-Teller effect in the center's singlet levels and the latter indicates that major sources of broadening are yet to be identified. These conclusions have important implications for the understanding of the center and the engineering of diamond quantum devices. Finally, we propose that, once the major sources of broadening are identified, the IR ZPL has the potential to be a sensitive spectroscopic tool for probing microscopic strain fields and performing defect tomography.

DOI
10.1103/physrevb.96.075205

Related papers

Assignment of the NV 0 575-nm zero-phonon line in diamond to a 2E - 2A2 transition

N. B. Manson, Katja Beha, Anton Batalov +4 more

The time-averaged emission spectrum of single nitrogen-vacancy defects in diamond gives zero-phonon lines of both the negative charge state at 637 nm (1.945 eV) and the neutral charge state at 575 nm (2.156 eV). This occurs through photoconversion cycling between the two charge states. Due to strain in the diamond the zero-phonon lines of both charge states are split and it is found that the splitting and polarization of the two zero-phonon lines are the same. From this observation and consideration of the electronic structure of the nitrogen-vacancy center it is concluded that the excited state of the neutral center has ${A}_{2}$ orbital symmetry. The assignment of the 575-nm transition to a ${}^{2}E$-${}^{2}{A}_{2}$ transition has not been established previously.

arXiv:1301.3542•Physical Review B•Apr 25, 2013•29 citations

New insight into the spin-conserving excitation of the negatively charged nitrogen-vacancy center in diamond

Bei Deng, R. Q. Zhang, Xingqiang Shi

The negatively charged nitrogen-vacancy (N-V(-)) color center in diamond is an important solid-state single photon source for applications to quantum communication and distributed quantum computation. Its full usefulness relies on sufficient radiative emission of the optical photons which requires realizable control to enhance emission into the zero-phonon line (ZPL) but until now is still a challenge. Detailed understanding of the associated excitation process would be of essential importance for such objective. Here we report a theoretical work that probes the spin-conserving optical excitation of the N-V(-) center. Using density-functional-theory (DFT) calculations, we find that the ZPL and the phonon-side band (PSB) depend sensitively on the axial strain of the system. Besides, we find a relatively small PSB appearing at about 100 GPa in the emission spectrum at low temperatures, which provides a means to enhance the coherent emission of the N-V(-) center in quantum optical networks.

Scientific Reports•Jun 3, 2014•16 citations

Dynamic Jahn-Teller Effect in the NV− Center in Diamond

Tesfaye A. Abtew, Yi‐Yang Sun, Bi-Ching Shih +3 more

The negatively charged nitrogen-vacancy (NV(-)) center in diamond is considered to be one of the most promising solid state systems for quantum information applications. Excited states of the NV(-) center play a center role in the proposed applications. Using a combination of first-principles calculations and vibronic interaction model analysis, we establish the presence of a dynamic Jahn-Teller effect in the (3)E excited state. The calculated temperature-dependent dephasing rate for the zero phonon line as well as the splitting of the first two vibronic states are in good agreement with experiment.

Physical Review Letters•Sep 30, 2011•99 citations

Homogeneous broadening of the zero-phonon line in the nitrogen-vacancy centre in diamond for all strain regimes

Thom Fronik

The nitrogen-vacancy centre in diamond has shown to be a promising solid-state spin-qubit for applications in quantum information processing. NV centres can be used as nodes in quantum communication networks by remote controlled entanglement. The success of such entanglement schemes depends on the probability of photons being emitted in the zero-phonon line. To increase this probability, NV centres in thin diamond membranes are placed in optical cavities. However, NV centres in thin diamond membranes often show much larger strain splitting. In this thesis, the effect of such strain interactions on the population dynamics and homogeneous broadening of the zero-phonon line of the excited state is determined.

•Jan 1, 2018•0 citations

DFT modeling of strained group-IV color centers in diamond

Thijs G. I. van Wijk, Esin Aylin Melan, Rani Mary Joy +4 more

Diamond color centers are considered as viable candidates for solid state qubits and single photon sources for quantum technological applications ranging from quantum sensing to quantum information processing [1]. Color centers are created through ion beam implantation or incorporation during chemical vapor deposition. This way most elements of the periodic table have been considered at some point in the past, even lanthanides like Eu, due to their sharp spectral properties [2]. However, in recent years, group-IV color centers have been gaining attention due to their excellent Debye-Waller factor, making them very suitable for optically based quantum applications. In such applications, a sharp and robust zero-phonon line (ZPL) are prime qualities sought after. Unfortunately, practical diamond based devices contain several sources of strain, originating from the ion beam implantation and annealing during device fabrication. This strain results in a shifting of the ZPL depending on the type of strain and magnitude experienced by the color center [3,4,5]. Using density functional theory (DFT) calculations, the impact of isotropic and anisotropic strain on the GeV and SnV centers in diamond is investigated, with the aim of understanding the experimentally observed distributions of ZPL positions. By using defect concentrations of 1.5% down to 0.1% (64-1000 atom conventional cells) we show that it is possible to extrapolate to experimentally relevant concentrations [3,4,5]. The calculated ZPL position and strain-induced shifts are presented for both neutral and negatively charged color centers. For the GeV 0 color center, both red and blue shifts are obtained for isotropic strain, while anisotropic strain only gives rise to a redshift. In case of the latter, the absolute magnitude of the shift is also significantly larger [3]. In case of the SnV 0 and SnV-, the position of the ZPL shows a smaller dependence on the color center concentration. In contrast, the ZPL shift for SnV centers is larger than the one obtained for the GeV 0 color center [4,5]. We also note that the impact of the charge state is rather non-trivial. The calculated results are discussed within the context of the experimental observation of distributions of ZPL positions for the SnV and GeV centers [3,4]. We highlight some of the pitfalls when comparing calculated and experimental results, and indicate how further experimental-theoretical studies can provide insights into the black box of experimentally doped samples [4,5].

•Jan 1, 2026•0 citations

Observation of the Dynamic Jahn-Teller Effect in the Excited States of Nitrogen-Vacancy Centers in Diamond

Kai‐Mei C. Fu, Charles Santori, Paul E. Barclay +3 more

The optical transition linewidth and emission polarization of single nitrogen-vacancy (NV) centers are measured from 5 K to room temperature. Interexcited state population relaxation is shown to broaden the zero-phonon line and both the relaxation and linewidth are found to follow a T(5) dependence for T < 100 K. This dependence indicates that the dynamic Jahn-Teller effect is the dominant dephasing mechanism for the NV optical transitions at low temperatures.

arXiv:0910.0494•Physical Review Letters•Dec 17, 2009•265 citations
The negatively charged nitrogen-vacancy (NV\ensuremath−)({\mathrm{NV}}^{\ensuremath{-}})(NV\ensuremath−) center in diamond is a promising candidate for many quantum applications. Here, we examine the splitting and broadening of the center's infrared (IR) zero-phonon line (ZPL). We develop a model for these effects that accounts for the strain induced by photodependent microscopic distributions of defects. We apply this model to interpret observed variations of the IR ZPL shape with temperature and photoexcitation conditions. We identify an anomalous temperature-dependent broadening mechanism and that defects other than the substitutional nitrogen center significantly contribute to strain broadening. The former conclusion suggests the presence of a strong Jahn-Teller effect in the center's singlet levels and the latter indicates that major sources of broadening are yet to be identified. These conclusions have important implications for the understanding of the center and the engineering of diamond quantum devices. Finally, we propose that, once the major sources of broadening are identified, the IR ZPL has the potential to be a sensitive spectroscopic tool for probing microscopic strain fields and performing defect tomography.
The time-averaged emission spectrum of single nitrogen-vacancy defects in diamond gives zero-phonon lines of both the negative charge state at 637 nm (1.945 eV) and the neutral charge state at 575 nm (2.156 eV). This occurs through photoconversion cycling between the two charge states. Due to strain in the diamond the zero-phonon lines of both charge states are split and it is found that the splitting and polarization of the two zero-phonon lines are the same. From this observation and consideration of the electronic structure of the nitrogen-vacancy center it is concluded that the excited state of the neutral center has A2{A}_{2}A2​ orbital symmetry. The assignment of the 575-nm transition to a 2E{}^{2}E2E-2A2{}^{2}{A}_{2}2A2​ transition has not been established previously.
The negatively charged nitrogen-vacancy (N-V(-)) color center in diamond is an important solid-state single photon source for applications to quantum communication and distributed quantum computation. Its full usefulness relies on sufficient radiative emission of the optical photons which requires realizable control to enhance emission into the zero-phonon line (ZPL) but until now is still a challenge. Detailed understanding of the associated excitation process would be of essential importance for such objective. Here we report a theoretical work that probes the spin-conserving optical excitation of the N-V(-) center. Using density-functional-theory (DFT) calculations, we find that the ZPL and the phonon-side band (PSB) depend sensitively on the axial strain of the system. Besides, we find a relatively small PSB appearing at about 100 GPa in the emission spectrum at low temperatures, which provides a means to enhance the coherent emission of the N-V(-) center in quantum optical networks.
The negatively charged nitrogen-vacancy (NV(-)) center in diamond is considered to be one of the most promising solid state systems for quantum information applications. Excited states of the NV(-) center play a center role in the proposed applications. Using a combination of first-principles calculations and vibronic interaction model analysis, we establish the presence of a dynamic Jahn-Teller effect in the (3)E excited state. The calculated temperature-dependent dephasing rate for the zero phonon line as well as the splitting of the first two vibronic states are in good agreement with experiment.
The nitrogen-vacancy centre in diamond has shown to be a promising solid-state spin-qubit for applications in quantum information processing. NV centres can be used as nodes in quantum communication networks by remote controlled entanglement. The success of such entanglement schemes depends on the probability of photons being emitted in the zero-phonon line. To increase this probability, NV centres in thin diamond membranes are placed in optical cavities. However, NV centres in thin diamond membranes often show much larger strain splitting. In this thesis, the effect of such strain interactions on the population dynamics and homogeneous broadening of the zero-phonon line of the excited state is determined.
Diamond color centers are considered as viable candidates for solid state qubits and single photon sources for quantum technological applications ranging from quantum sensing to quantum information processing [1]. Color centers are created through ion beam implantation or incorporation during chemical vapor deposition. This way most elements of the periodic table have been considered at some point in the past, even lanthanides like Eu, due to their sharp spectral properties [2]. However, in recent years, group-IV color centers have been gaining attention due to their excellent Debye-Waller factor, making them very suitable for optically based quantum applications. In such applications, a sharp and robust zero-phonon line (ZPL) are prime qualities sought after. Unfortunately, practical diamond based devices contain several sources of strain, originating from the ion beam implantation and annealing during device fabrication. This strain results in a shifting of the ZPL depending on the type of strain and magnitude experienced by the color center [3,4,5]. Using density functional theory (DFT) calculations, the impact of isotropic and anisotropic strain on the GeV and SnV centers in diamond is investigated, with the aim of understanding the experimentally observed distributions of ZPL positions. By using defect concentrations of 1.5% down to 0.1% (64-1000 atom conventional cells) we show that it is possible to extrapolate to experimentally relevant concentrations [3,4,5]. The calculated ZPL position and strain-induced shifts are presented for both neutral and negatively charged color centers. For the GeV 0 color center, both red and blue shifts are obtained for isotropic strain, while anisotropic strain only gives rise to a redshift. In case of the latter, the absolute magnitude of the shift is also significantly larger [3]. In case of the SnV 0 and SnV-, the position of the ZPL shows a smaller dependence on the color center concentration. In contrast, the ZPL shift for SnV centers is larger than the one obtained for the GeV 0 color center [4,5]. We also note that the impact of the charge state is rather non-trivial. The calculated results are discussed within the context of the experimental observation of distributions of ZPL positions for the SnV and GeV centers [3,4]. We highlight some of the pitfalls when comparing calculated and experimental results, and indicate how further experimental-theoretical studies can provide insights into the black box of experimentally doped samples [4,5].