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arXiv:1907.12548 · Physical review. B./Physical review. B

Group-III quantum defects in diamond are stable spin-1 color centers

Isaac Harris, Christopher J. Ciccarino, Johannes Flick, Dirk Englund, Prineha Narang

Published Nov 24, 2020• 39 citations
arXivHTMLPDF

Abstract

Color centers in diamond have emerged as leading solid-state ``artificial atoms'' for a range of quantum technologies, from quantum sensing to quantum networks. Concerted research activities are now underway to identify new color centers that combine stable spin and optical properties of the nitrogen vacancy (${\mathrm{NV}}^{\ensuremath{-}}$) with the spectral stability of the silicon vacancy (${\mathrm{SiV}}^{\ensuremath{-}}$) centers in diamond, with recent research identifying other group-IV color centers with superior properties. In this paper, we investigate a class of diamond quantum emitters from first principles, the group-III color centers, which we show to be thermodynamically stable in a spin-1, electric-field-insensitive structure. From ab initio electronic structure methods, we characterize the product Jahn-Teller (pJT) effect present in the excited-state manifold of these group-III color centers, where we capture symmetry-breaking distortions associated with strong electron-phonon coupling. These predictions can guide experimental identification of group-III vacancy centers and their use in applications in quantum information science and technology.

DOI
10.1103/physrevb.102.195206

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Color centers in diamond have emerged as leading solid-state ``artificial atoms'' for a range of quantum technologies, from quantum sensing to quantum networks. Concerted research activities are now underway to identify new color centers that combine stable spin and optical properties of the nitrogen vacancy (NV\ensuremath−{\mathrm{NV}}^{\ensuremath{-}}NV\ensuremath−) with the spectral stability of the silicon vacancy (SiV\ensuremath−{\mathrm{SiV}}^{\ensuremath{-}}SiV\ensuremath−) centers in diamond, with recent research identifying other group-IV color centers with superior properties. In this paper, we investigate a class of diamond quantum emitters from first principles, the group-III color centers, which we show to be thermodynamically stable in a spin-1, electric-field-insensitive structure. From ab initio electronic structure methods, we characterize the product Jahn-Teller (pJT) effect present in the excited-state manifold of these group-III color centers, where we capture symmetry-breaking distortions associated with strong electron-phonon coupling. These predictions can guide experimental identification of group-III vacancy centers and their use in applications in quantum information science and technology.
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.
The silicon-vacancy (SiV) and nitrogen-vacancy (NV) centers in diamond are commonly regarded as prototypical defects for solid-state quantum information processing. Here, we show that when silicon and nitrogen are simultaneously introduced into the diamond lattice, these defects can strongly interact and form larger complexes. Nitrogen atoms strongly bind to Si and SiV centers, and complex formation can occur. Using a combination of hybrid density functional theory and group theory, we analyze the electronic structure and provide various useful physical properties, such as hyperfine structure, quasilocal vibrational modes, and a zero-phonon line, to enable experimental identification of these complexes. We demonstrate that the presence of substitutional silicon adjacent to nitrogen significantly shifts the donor level toward the conduction band, resulting in an activation energy for the SiN center that is comparable to phosphorus. We also find that the neutral SiNV center is of particular interest due to its photon emission at $\ensuremath{\sim}1530\phantom{\rule{0.28em}{0ex}}\mathrm{nm}$, which falls within the CCC band of telecom wavelengths and its paramagnetic nature. In addition, the optical transition associated with the SiNV0{\mathrm{SiNV}}^{0}SiNV0 color center exhibits very small electron-phonon coupling (Huang-Rhys factor = 0.78) resulting in high quantum efficiency (Debye-Waller factor = 46%) for single-photon emission. These features render this new center very attractive for a potential application in scalable quantum telecommunication networks.
Nitrogen-vacancy (NV) color centers in diamond have emerged as a focal point in quantum technology research due to their exceptional optical and electronic spin properties. This discovery not only expands our understanding of the material properties of diamond but also paves the way for practical applications in quantum technology. As a solid-state spin quantum system characterized by long electron spin coherence times and stable performance, NV color centers offer distinct advantages in quantum information processing. Recent advancements have enabled the fabrication of high-quality NV color centers with controllable concentration and spatial positioning through techniques such as in situ doping, ion implantation, and hybrid approaches. These technological breakthroughs have significantly enhanced the efficiency of NV center fabrication, thereby establishing a robust foundation for their widespread application in quantum sensing and quantum information technologies. This review provides a compre­hensive introduction to the structure and fundamental properties of NV color centers in diamond, an in-depth analysis of recent progress in their fabrication techniques, and a critical discussion of their current applications in quantum science and technology. Additionally, the challenges, open questions, and future research directions in NV color center studies are addressed.
Atomic scale defects in diamond are emerging as next-generation quantum sensors. One such defect is the nitrogen vacancy (NV) center which possesses artificial atom-like properties making it a strong contender for a room temperature solid state qubit. These spin defects are optically addressable by studying their optically detected magnetic resonance spectra (ODMR). The spin states can be initialized, controlled, and read out by a shining laser. The photoluminescence spectra contain information on the external magnetic field, electric field, temperature, etc. Thus, this type of multimodal sensor is exigent in various fields of research viz. chemistry, materials science, biology, and fundamental physics. In today's world where energy-related products are booming, deployment of quantum sensors can expedite the development. Based on existing works, this paper makes an attempt to identify the applications of color centers in diamond for energy sectors. We have highlighted the efficacy of quantum diamond sensors in the oil and gas industry, battery research, and photovoltaics. In addition, a summary of the structural and quantum properties of defects in diamond, synthesis of diamond, protocols for optical detection of spin states, different types of color centers, etc., is presented.
A quantum register coupled to a spin-photon interface is a key component in quantum communication and information processing.Group-IV color centers in diamond (SiV -, GeV -, and SnV -) are promising candidates for this application, comprising an electronic spin with optical transitions coupled to a nuclear spin as the quantum register.However, the creation of a quantum register for these color centers with deterministic and strong coupling to the spin-photon interface remains challenging.Here, we make first-principles predictions of the hyperfine parameters of the group-IV color centers, which we verify experimentally with a comprehensive comparison between the spectra of spin active and spin neutral intrinsic dopant nuclei in single GeV -and SnV -emitters.In line with the theoretical predictions, detailed spectroscopy on large sample sizes reveals that hyperfine coupling causes a splitting of the optical transition of SnV -an order of magnitude larger than the optical line width and provides a magnetic field insensitive transition.This strong coupling provides access to a new regime for quantum registers in diamond color centers, opening avenues for novel spin-photon entanglement and quantum sensing schemes for these well-studied emitters.
The negatively charged silicon vacancy (SiV) color center in diamond has recently proven its suitability for bright and stable single photon emission. However, its electronic structure so far has remained elusive. We here explore the electronic structure by exposing single SiV defects to a magnetic field where the Zeeman effect lifts the degeneracy of magnetic sublevels. The similar responses of single centers and a SiV ensemble in a low strain reference sample prove our ability to fabricate almost perfect single SiVs, revealing the true nature of the defect's electronic properties. We model the electronic states using a group-theoretical approach yielding a good agreement with the experimental observations. Furthermore, the model correctly predicts polarization measurements on single SiV centers and explains recently discovered spin selective excitation of SiV defects.