| 1. |
- Castelletto, S., et al.
(författare)
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A silicon carbide room-temperature single-photon source
- 2014
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Ingår i: Nature Materials. - : Nature Publishing Group. - 1476-1122 .- 1476-4660. ; 13:2, s. 151-156
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Tidskriftsartikel (refereegranskat)abstract
- Over the past few years, single-photon generation has been realized in numerous systems: single molecules(1), quantum dots(2-4), diamond colour centres5 and others(6). The generation and detection of single photons play a central role in the experimental foundation of quantum mechanics(7) and measurement theory(8). An efficient and high-quality single-photon source is needed to implement quantum key distribution, quantum repeaters and photonic quantum information processing(9). Here we report the identification and formation of ultrabright, room-temperature, photostable single-photon sources in a device-friendly material, silicon carbide (SiC). The source is composed of an intrinsic defect, known as the carbon antisite-vacancy pair, created by carefully optimized electron irradiation and annealing of ultrapure SiC. An extreme brightness (2 x 10(6) counts s(-1)) resulting from polarization rules and a high quantum efficiency is obtained in the bulk without resorting to the use of a cavity or plasmonic structure. This may benefit future integrated quantum photonic devices(9).
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| 2. |
- Falk, Abram L., et al.
(författare)
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Electrically and Mechanically Tunable Electron Spins in Silicon Carbide Color Centers
- 2014
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 112:18, s. 187601-
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Tidskriftsartikel (refereegranskat)abstract
- The electron spins of semiconductor defects can have complex interactions with their host, particularly in polar materials like SiC where electrical and mechanical variables are intertwined. By combining pulsed spin resonance with ab initio simulations, we show that spin-spin interactions in 4H-SiC neutral divacancies give rise to spin states with a strong Stark effect, sub-10(-6) strain sensitivity, and highly spin-dependent photoluminescence with intensity contrasts of 15%-36%. These results establish SiC color centers as compelling systems for sensing nanoscale electric and strain fields.
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| 3. |
- Gueorguiev Ivanov, Ivan, et al.
(författare)
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Optical properties of the niobium centre in 4H, 6H, and 15R SiC
- 2013
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Ingår i: SILICON CARBIDE AND RELATED MATERIALS 2012. - : Trans Tech Publications. ; , s. 405-408
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Konferensbidrag (refereegranskat)abstract
- A set of lines in the photoluminescence spectra of 4H-, 6H-, and 15R-SiC in the near-infrared are attributed to Nb-related defects on the ground of doping experiments conducted with 4H-SiC. A model based on a an exciton bound at the Nb-centre in an asymmetric split vacancy configuration at a hexagonal site is proposed, which explains the structure of the luminescence spectrum and the observed Zeeman splitting of the lines.
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| 4. |
- Ivady, Viktor, et al.
(författare)
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Asymmetric Split-Vacancy Defects in SiC Polytypes: A Combined Theoretical and Electron Spin Resonance Study
- 2011
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 107:19, s. 195501-
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Tidskriftsartikel (refereegranskat)abstract
- Transition metal defects were studied in different polytypes of silicon carbide (SiC) by ab initio supercell calculations. We found asymmetric split-vacancy (ASV) complexes for these defects that preferentially form at only one site in hexagonal polytypes, and they may not be detectable at all in cubic polytype. Electron spin resonance study demonstrates the existence of ASV complex in niobium doped 4H polytype of SiC.
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| 5. |
- Ivády, Viktor, et al.
(författare)
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Pressure and temperature dependence of the zero-field splitting in the ground state of NV centers in diamond: A first-principles study
- 2014
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 90:23, s. 235205-
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Tidskriftsartikel (refereegranskat)abstract
- Nitrogen-vacancy centers in diamond (NV) attract great attention because they serve as a tool in many important applications. The NV center has a polarizable spin S = 1 ground state and its spin state can be addressed by optically detected magnetic resonance (ODMR) techniques. The m(S) = 0 and m(S) = +/- 1 spin levels of the ground state are separated by about 2.88 GHz in the absence of an external magnetic field or any other perturbations. This zero-field splitting (ZFS) can be probed by ODMR. As this splitting changes as a function of pressure and temperature, the NV center might be employed as a sensor operating at the nanoscale. Therefore, it is of high importance to understand the intricate details of the pressure and temperature dependence of this splitting. Here we present an ab initio theory of the ZFS of the NV center as a function of external pressure and temperature including detailed analysis on the contributions of macroscopic and microscopic effects. We found that the pressure dependence is governed by the change in the distance between spins as a consequence of the global compression and the additional local structural relaxation. The local structural relaxation contributes to the change of ZFS with the same magnitude as the global compression. In the case of temperature dependence of ZFS, we investigated the effect of macroscopic thermal expansion as well as the consequent change of the microscopic equilibrium positions. We could conclude that theses effects are responsible for about 15% of the observed decrease of ZFS.
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| 6. |
- Ivády, Viktor, et al.
(författare)
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Role of screening in the density functional applied to transition-metal defects in semiconductors
- 2013
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 87:20
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Tidskriftsartikel (refereegranskat)abstract
- We study selected transition-metal-related point defects in silicon and silicon carbide semiconductors by a range-separated hybrid density functional (HSE06). We find that HSE06 does not fulfill the generalized Koopmans' theorem for every defect, which is due to the self-interaction error in the functional in such cases. Restoring the so-called generalized Koopmans' condition with a simple correction in the functional can eliminate this error and brings the calculated charge transition levels remarkably close to the experimental data as well as to the calculated quasiparticle levels from many-body perturbation theory.
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| 7. |
- Ivády, Viktor, et al.
(författare)
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Theoretical investigation of the single photon emitter carbon antisite-vacancy pair in 4H-SiC
- 2014
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Ingår i: SILICON CARBIDE AND RELATED MATERIALS 2013, PTS 1 AND 2. - : Trans Tech Publications. ; , s. 495-498
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Konferensbidrag (refereegranskat)abstract
- Well addressable and controllable point defects in device friendly semiconductors are desired for quantum computational and quantum informational processes. Recently, such defect, an ultra-bright single photon emitter, the carbon antisite - vacancy pair, was experimentally investigated in 4H-SiC. In our theoretical work, based on ab initio calculation and group theory analysis, we provide a deeper understanding of the features of the electronic structures and the luminescence process of this defect.
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| 8. |
- Ivády, Viktor, et al.
(författare)
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Theoretical unification of hybrid-DFT and DFT plus U methods for the treatment of localized orbitals
- 2014
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 90:3, s. 035146-
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Tidskriftsartikel (refereegranskat)abstract
- Hybrid functionals serve as a powerful practical tool in different fields of computational physics and quantum chemistry. On the other hand, their applicability for the case of correlated d and f orbitals is still questionable and needs more considerations. In this article we formulate the on-site occupation dependent exchange correlation energy and effective potential of hybrid functionals for localized states and connect them to the on-site correction term of the DFT+ U method. The resultant formula indicates that the screening of the onsite electron repulsion is governed by the ratio of the exact exchange in hybrid functionals. Our derivation provides a theoretical justification for adding a DFT+ U-like on-site potential in hybrid-DFT calculations to resolve issues caused by overscreening of localized states. The resulting scheme, hybrid DFT+ V-w, is tested for chromium impurity in wurtzite AlN and vanadium impurity in 4H-SiC, which are paradigm examples of systems with different degrees of localization between host and impurity orbitals.
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| 9. |
- Son Tien, Nguyen, et al.
(författare)
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Electron paramagnetic resonance and theoretical studies of Nb in 4H- and 6H-SiC
- 2012
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Ingår i: Journal of Applied Physics. - : American Institute of Physics (AIP). - 0021-8979 .- 1089-7550. ; 112:8, s. 083711-
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Tidskriftsartikel (refereegranskat)abstract
- High purity silicon carbide (SiC) materials are of interest from high-power high temperature applications across recent photo-voltaic cells to hosting solid state quantum bits, where the tight control of electrically, optically, and magnetically active point defects is pivotal in these areas. 4H- and 6H-SiC substrates are grown at high temperatures and the incorporation of transition metal impurities is common. In unintentionally Nb-doped 4H- and 6H-SiC substrates grown by high-temperature chemical vapor deposition, an electron paramagnetic resonance (EPR) spectrum with C-1h symmetry and a clear hyperfine (hf) structure consisting of ten equal intensity hf lines was observed. The hf structure can be identified as due to the interaction between the electron spin S - 1/2 and the nuclear spin of Nb-93. Additional hf structures due to the interaction with three Si neighbors were also detected. In 4H-SiC, a considerable spin density of similar to 37.4% was found on three Si neighbors, suggesting the defect to be a complex between Nb and a nearby carbon vacancy (V-C). Calculations of the Nb-93 and Si-29 hf constants of the neutral Nb on Si site, Nb-Si(0), and the Nb-vacancy defect, NbSiVC0, support previous reported results that Nb preferentially forms an asymmetric split-vacancy (ASV) defect. In both 4H- and 6H-SiC, only one Nb-related EPR spectrum has been observed, supporting the prediction from calculations that the hexagonal-hexagonal defect configuration of the ASV complex is more stable than others.
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| 10. |
- Szasz, K., et al.
(författare)
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First principles investigation of divacancy in SiC polytypes for solid state qubit application
- 2014
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Ingår i: SILICON CARBIDE AND RELATED MATERIALS 2013, PTS 1 AND 2. - Stafa-Zurich, Switzerland : Trans Tech Publications. - 9783038350101 ; , s. 499-502
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Konferensbidrag (refereegranskat)abstract
- We calculated the hyperfine structure and the zero-field splitting parameters of divacancies in 3C, 4H and 6H SiC in the ground state and in the excited state for 4H SiC within the framework of density functional theory. Besides that our calculations provide identification of the defect in different polytypes, we can find some carbon atoms next to the divacancy that of the spin polarizations are similar in the ground and excited states. This coherent nuclear spin polarization phenomenon can be the base to utilize 13C spins as quantum memory.
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