| 1. |
- Barcza, Gergely, et al.
(författare)
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DMRG on Top of Plane-Wave Kohn-Sham Orbitals: A Case Study of Defected Boron Nitride
- 2021
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Ingår i: Journal of Chemical Theory and Computation. - : AMER CHEMICAL SOC. - 1549-9618 .- 1549-9626. ; 17:2, s. 1143-1154
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Tidskriftsartikel (refereegranskat)abstract
- In this paper, we analyze the numerical aspects of the inherent multireference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density functional theory using the complete active space approach. The potential of the framework is illustrated by studying hexagonal boron nitride nanoflakes embedding a charged single boron vacancy point defect by revealing a vertical energy spectrum with a prominent multireference character. We investigate the consistency of the DMRG energy spectrum from the perspective of sample size, basis size, and active space selection protocol. Results obtained from standard quantum chemical atom-centered basis calculations and plane-wave based counterparts show excellent agreement. Furthermore, we also discuss the spectrum of the periodic sheet which is in good agreement with extrapolated data of finite clusters. These results pave the way toward applying the DMRG method in extended correlated solid-state systems, such as point defect qubit in wide band gap semiconductors.
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| 2. |
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| 3. |
- Gulka, Michal, et al.
(författare)
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Room-temperature control and electrical readout of individual nitrogen-vacancy nuclear spins
- 2021
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Ingår i: Nature Communications. - : NATURE RESEARCH. - 2041-1723. ; 12:1
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Tidskriftsartikel (refereegranskat)abstract
- Nuclear spins in semiconductors are leading candidates for future quantum technologies, including quantum computation, communication, and sensing. Nuclear spins in diamond are particularly attractive due to their long coherence time. With the nitrogen-vacancy (NV) centre, such nuclear qubits benefit from an auxiliary electronic qubit, which, at cryogenic temperatures, enables probabilistic entanglement mediated optically by photonic links. Here, we demonstrate a concept of a microelectronic quantum device at ambient conditions using diamond as wide bandgap semiconductor. The basic quantum processor unit - a single N-14 nuclear spin coupled to the NV electron - is read photoelectrically and thus operates in a manner compatible with nanoscale electronics. The underlying theory provides the key ingredients for photoelectric quantum gate operations and readout of nuclear qubit registers. This demonstration is, therefore, a step towards diamond quantum devices with a readout area limited by inter-electrode distance rather than by the diffraction limit. Such scalability could enable the development of electronic quantum processors based on the dipolar interaction of spin-qubits placed at nanoscopic proximity. Nuclear spins in diamond are promising for applications in quantum technologies due to their long coherence times. Here, the authors demonstrate a scalable electrical readout of individual intrinsic N-14 nuclear spins in diamond, mediated by hyperfine coupling to electron spin of the NV center, as a step towards room-temperature nanoscale diamond quantum devices.
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| 4. |
- Hamdi, Hanen, et al.
(författare)
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Stone-Wales defects in hexagonal boron nitride as ultraviolet emitters
- 2020
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Ingår i: npj Computational Materials. - : Nature Research. - 2057-3960. ; 6:1
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Tidskriftsartikel (refereegranskat)abstract
- Many quantum emitters have been measured close or near the grain boundaries of the two-dimensional hexagonal boron nitride where various Stone-Wales defects appear. We show by means of first principles density functional theory calculations that the pentagon-heptagon Stone-Wales defect is an ultraviolet emitter and its optical properties closely follow the characteristics of a 4.08-eV quantum emitter, often observed in polycrystalline hexagonal boron nitride. We also show that the square-octagon Stone-Wales line defects are optically active in the ultraviolet region with varying gaps depending on their density in hexagonal boron nitride. Our results may introduce a paradigm shift in the identification of fluorescent centres in this material.
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| 5. |
- Ivády, Viktor, et al.
(författare)
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Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride
- 2020
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Ingår i: npj Computational Materials. - : Nature Publishing Group. - 2057-3960. ; 6:1
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Tidskriftsartikel (refereegranskat)abstract
- Highly correlated orbitals coupled with phonons in two-dimension are identified for paramagnetic and optically active boron vacancy in hexagonal boron nitride by first principles methods which are responsible for recently observed optically detected magnetic resonance signal. Here, we report ab initio analysis of the correlated electronic structure of this center by density matrix renormalization group and Kohn-Sham density functional theory methods. By establishing the nature of the bright and dark states as well as the position of the energy levels, we provide a complete description of the magneto-optical properties and corresponding radiative and non-radiative routes which are responsible for the optical spin polarization and spin dependent luminescence of the defect. Our findings pave the way toward advancing the identification and characterization of room temperature quantum bits in two-dimensional solids.
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| 6. |
- Ivády, Viktor, et al.
(författare)
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Photoluminescence at the ground-state level anticrossing of the nitrogen-vacancy center in diamond: A comprehensive study
- 2021
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 103:3
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Tidskriftsartikel (refereegranskat)abstract
- The nitrogen-vacancy center (NV center) in diamond at magnetic fields corresponding to the ground-state level anticrossing (GSLAC) region gives rise to rich photoluminescence (PL) signals due to the vanishing energy gap between the electron spin states, which enables for a broad variety of environmental couplings to have an effect on the NV centers luminescence. Previous works have addressed several aspects of the GSLAC photoluminescence, however, a comprehensive analysis of the GSLAC signature of NV ensembles in different spin environments at various external fields is missing. Here we employ a combination of experiments and recently developed numerical methods to investigate in detail the effects of transverse electric and magnetic fields, strain, P1 centers, NV centers, and the C-13 nuclear spins on the GSLAC photoluminescence. Our comprehensive analysis provides a solid ground for advancing various microwave-free applications at the GSLAC, including but not limited to magnetometry, spectroscopy, dynamic nuclear polarization (DNP), and nuclear magnetic resonance (NMR) detection. We demonstrate that not only the most abundant (NV)-N-14 center but the (NV)-N-15 can also be utilized in such applications.
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| 7. |
- Krumrein, Marcel, et al.
(författare)
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Precise Characterization of a Waveguide Fiber Interface in Silicon Carbide
- 2024
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Ingår i: ACS Photonics. - : AMER CHEMICAL SOC. - 2330-4022.
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Tidskriftsartikel (refereegranskat)abstract
- Spin-active optical emitters in silicon carbide are excellent candidates toward the development of scalable quantum technologies. However, efficient photon collection is challenged by undirected emission patterns from optical dipoles, as well as low total internal reflection angles due to the high refractive index of silicon carbide. Based on recent advances with emitters in silicon carbide waveguides, we now demonstrate a comprehensive study of nanophotonic waveguide-to-fiber interfaces in silicon carbide. We find that across a large range of fabrication parameters, our experimental collection efficiencies remain above 90%. Further, by integrating silicon vacancy color centers into these waveguides, we demonstrate an overall photon count rate of 181 kilo-counts per second, which is an order of magnitude higher compared to standard setups. We also quantify the shift of the ground state spin states due to strain fields, which can be introduced by waveguide fabrication techniques. Finally, we show coherent electron spin manipulation with waveguide-integrated emitters with state-of-the-art coherence times of T-2 similar to 42 mu s. The robustness of our methods is very promising for quantum networks based on multiple orchestrated emitters.
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| 8. |
- Li, Song, et al.
(författare)
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Carbon defect qubit in two-dimensional WS2
- 2022
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Ingår i: Nature Communications. - : Nature Portfolio. - 2041-1723. ; 13:1
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Tidskriftsartikel (refereegranskat)abstract
- Identifying and fabricating defect qubits in two-dimensional semiconductors are of great interest in exploring candidates for quantum information and sensing applications. A milestone has been recently achieved by demonstrating that single defect, a carbon atom substituting sulphur atom in single layer tungsten disulphide, can be engineered on demand at atomic size level precision, which holds a promise for a scalable and addressable unit. It is an immediate quest to reveal its potential as a qubit. To this end, we determine its electronic structure and optical properties from first principles. We identify the fingerprint of the neutral charge state of the defect in the scanning tunnelling spectrum. In the neutral defect, the giant spin-orbit coupling mixes the singlet and triplet excited states with resulting in phosphorescence at the telecom band that can be used to read out the spin state, and coherent driving with microwave excitation is also viable. Our results establish a scalable qubit in a two-dimensional material with spin-photon interface at the telecom wavelength region. Recent work has demonstrated controlled fabrication of single carbon defect spins in the two-dimensional material WS2. Here, the authors use ab initio methods to determine the electronic and optical properties of this defect, establishing it as a viable qubit candidate operating close to the telecom band.
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| 9. |
- Liu, Wei, et al.
(författare)
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Coherent dynamics of multi-spin V-B(-) center in hexagonal boron nitride
- 2022
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Ingår i: Nature Communications. - : Nature Portfolio. - 2041-1723. ; 13:1
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Tidskriftsartikel (refereegranskat)abstract
- Hexagonal boron nitride (hBN) has recently been demonstrated to contain optically polarized and detected electron spins that can be utilized for implementing qubits and quantum sensors in nanolayered-devices. Understanding the coherent dynamics ofmicrowave driven spins in hBN is of crucial importance for advancing these emerging new technologies. Here, we demonstrate and study the Rabi oscillation and related phenomena of a negatively charged boron vacancy (V-B(-)) spin ensemble in hBN. We report on different dynamics of the V-B(-) spins at weak and strong magnetic fields. In the former case the defect behaves like a single electron spin system, while in the latter case it behaves like a multi-spin system exhibiting multiple-frequency dynamical oscillation as beat in the Ramsey fringes. We also carry out theoretical simulations for the spin dynamics of V-B(-) and reveal that the nuclear spins can be driven via the strong electron nuclear coupling existing in V-B(-) center, which can be modulated by the magnetic field and microwave field.
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| 10. |
- Morioka, Naoya, et al.
(författare)
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Spin-controlled generation of indistinguishable and distinguishable photons from silicon vacancy centres in silicon carbide
- 2020
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Ingår i: Nature Communications. - : NATURE PUBLISHING GROUP. - 2041-1723. ; 11:1
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Tidskriftsartikel (refereegranskat)abstract
- Quantum systems combining indistinguishable photon generation and spin-based quantum information processing are essential for remote quantum applications and networking. However, identification of suitable systems in scalable platforms remains a challenge. Here, we investigate the silicon vacancy centre in silicon carbide and demonstrate controlled emission of indistinguishable and distinguishable photons via coherent spin manipulation. Using strong off-resonant excitation and collecting zero-phonon line photons, we show a two-photon interference contrast close to 90% in Hong-Ou-Mandel type experiments. Further, we exploit the systems intimate spin-photon relation to spin-control the colour and indistinguishability of consecutively emitted photons. Our results provide a deep insight into the systems spin-phonon-photon physics and underline the potential of the industrially compatible silicon carbide platform for measurement-based entanglement distribution and photonic cluster state generation. Additional coupling to quantum registers based on individual nuclear spins would further allow for high-level network-relevant quantum information processing, such as error correction and entanglement purification. Defects in silicon carbide can act as single photon sources that also have the benefit of a host material that is already used in electronic devices. Here the authors demonstrate that they can control the distinguishability of the emitted photons by changing the defect spin state.
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