arXiv subjects

Péter Udvarhelyi

Publications and source records attributed to Péter Udvarhelyi.

At least 19 recordsLinked to original sources

arXiv2026

First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon

Spin-active color centers are the basis of solid-state defect systems utilized in quantum technologies. Although silicon is an emerging host material for quantum defects, there is an urgent need to characterize color centers with a non-zero electron-spin ground state in this platform, in addition to the prominent T-center. In this work, we carry out first-principles calculations to identify the possible atomic structures originating the experimentally observed N-line series in silicon. We propose that the core structure of the N1 center consists of a neighboring carbon and nitrogen interstitial pair. Furthermore, we predict that more complex defects involving self-interstitial and interstitial oxygen atoms are feasible candidates for the further lines in the series. As all of these color centers are isoelectronic to the T-center, they provide a family of alternative spin qubits with emission near the low-energy telecommunication bands.

cond-mat.mtrl-sci↗

arXiv2026

Bond reconstruction and vacancy clustering in monolayer silicon carbide from first principles

Bond reconstruction in vacancy-related structures affects their formation energies, symmetries, and electronic and optical properties. Using density functional theory, we investigate bond reconstruction mechanisms of monovacancies and vacancy aggregates in monolayer silicon carbide. Multiple bond descriptors reveal that isolated monovacancies undergo both in-plane reconstruction and out-of-plane distortion, which together shape their stability and electronic structure. For compact vacancy aggregates, we show that bond reconstruction acts as a key stabilization mechanism. However, in carbon monovacancy, reconstruction suppresses optical activity. In contrast, a highly stable aggregate composed of three carbon vacancies surrounding a silicon vacancy emerges as a promising infrared color-center candidate, combining a triplet ground state with a favorable Debye-Waller factor of the emission. These results highlight the role of bond reconstruction in defining the quantum properties of vacancy defects in two-dimensional silicon carbide.

cond-mat.mtrl-sci↗

arXiv2026

Quantum communication networks with defects in silicon carbide

Quantum communication promises unprecedented capabilities enabled by the transmission of quantum states of light. However, current implementations face severe distance limitations due to photon loss. Silicon carbide (SiC) defects have emerged as a promising quantum device platform, offering strong optical transitions, long spin coherence lifetimes and the opportunity for integration with semiconductor devices. Some defects with optical transitions in the telecom range have been identified, allowing to interface with fiber networks without the need for wavelength conversion. These unique properties make SiC an attractive platform for the implementation of quantum nodes for quantum communication networks. We provide an overview of the most prominent defects in SiC and their implementation in spin-photon interfaces. Furthermore, we model an exemplary, memory-enhanced quantum communication protocol in order to extract the parameters required to surpass a direct point-to-point link performance. Based on these insights, we summarize the key steps required towards the deployment of SiC devices in large-scale quantum communication networks.

quant-ph↗

arXiv2025

Ultranarrow Bright Single-Photon Emitters in Diamond with Strong Broadband Phonon Decoupling

Single-photon emitters are fundamental building blocks for quantum information processing, communication and sensing. However, unwanted interactions with bulk phonons in their host environment strongly limit their coherence and controllability. We report single color centers in nanodiamonds that are strongly and comprehensively decoupled from the bulk phononic environment. The color centers feature record-narrow linewidths down to 0.3 nm at room temperature and stable, bright emission, exceeding 10 Mcps in saturation. Notably, the bulk phonon sideband is almost entirely suppressed, revealing the presence of a single localized vibrational mode outside the diamond phonon band. Our observations and simulations point towards a unique mechanism for phonon decoupling in common wide-gap materials, based on a strongly radiative orbital transition coupled to a localized vibrational mode. The new color center enables qualitatively higher performance for applications in quantum networks and nanoscale sensing, and the exploration of new physical resources associated with vibrational states.

quant-ph↗

arXiv2025

Robust superzone gap opening in incommensurate antiferromagnetic semimetal EuAg$_4$Sb$_2$ under in-plane magnetic field

The interplay between magnetism and charge transport in semimetals has emerged as a fertile ground for discovering novel electronic phenomena. A notable example is the recent discovery of electronic commensuration arising from a spin moiré superlattice (SMS), realized as double-q spin modulation in the antiferromagnetic semimetal EuAg$_4$Sb$_2$. Here, we investigate the in-plane magnetic-field tunability of the SMS using neutron scattering, magnetic and transport measurements. We reveal an incommensurate noncollinear cycloidal magnetic ground state. Temperature-field phase diagrams constructed with field tilting uncover multiple spin-reoriented phases, suggesting the critical role of in-plane field components in driving magnetic transitions. Despite substantial spin reorientation of the double-q phase, we observe a persistent gap opening, evidenced by strong suppression in both Hall and longitudinal conductivities. Model calculations attribute this robustness to the stability of SMS under tilting fields. Our results establish EuAg$_4$Sb$_2$ as a tunable platform for exploring spin-texture-driven superzone gap opening in electronic states.

cond-mat.str-el↗

arXiv2024

Solid-state qubits in moire superlattices

Qubits are the fundamental units in quantum computing, but they are also pivotal for advancements in quantum communication and sensing. Currently, there are a variety of platforms for qubits, including cold atoms, superconducting circuits, point defects, and semiconductor quantum dots. In these systems, each qubit requires individual preparation, making identical replication a challenging task. Constructing and maintaining stable, scalable qubits remains a formidable challenge, especially for solid-state qubits. The race to identify the best one remains inconclusive, making the search for new qubits a welcome endeavor. Our study introduces moiré superlattices of twisted bilayer materials as a promising platform for qubits due to their tunability, natural patterns, and extensive materials library. Our first-principles calculations reveal that when the twist angle between the two layers is sufficiently small, these materials foster identical, localized quantum wells within the moiré superlattices. Each quantum well accommodates a few dispersionless bands and localized states, akin to the discrete energy levels of an alkali atom. Existing experimental techniques allow for individual initialization, manipulation, and readout of the local quantum states. The vast array of 2D materials provides a multitude of potential candidates for qubit exploration in such systems. Due to their inherent scalability and uniformity, our proposed qubits present significant advantages over conventional solid-state qubit systems.

quant-ph↗

arXiv2024

Design for telecom-wavelength quantum emitters in silicon based on alkali-metal-saturated vacancy complexes

Defect emitters in silicon are promising contenders as building blocks of solid-state quantum repeaters and sensor networks. Here we investigate a family of possible isoelectronic emitter defect complexes from a design standpoint. We show that the identification of key physical effects on quantum defect state localization can guide the search for telecom wavelength emitters. We demonstrate this by performing first-principles calculations on the Q center, predicting its charged sodium variants possessing ideal emission wavelength near the lowest-loss telecom bands and ground state spin for possible spin-photon interface and nanoscale spin sensor applications yet to be explored in experiments.

quant-ph↗

arXiv2024

All epitaxial self-assembly of vertically-confined silicon color centers using ultra-low temperature epitaxy

Silicon-based color-centers (SiCCs) have recently emerged as quantum-light sources that can be combined with telecom-range Si Photonics platforms. Unfortunately, using current SiCC fabrication, deterministic control over the vertical emitter position is impossible due to ion-implantation's stochastic nature. To overcome this bottleneck towards high-yield integration, we demonstrate a radically innovative creation method for various SiCCs, solely relying on epitaxial growth of Si and C-doped Si at atypically-low temperatures in a ultra-clean growth environment. These telecom emitters can be confined within sub-1nm thick layers embedded at arbitrary vertical positions within a highly crystalline Si matrix. Tuning growth conditions and doping, different SiCC types, e.g., W-centers, T-centers, G-centers, or derivatives like G'-centers can be created, which are particularly promising as Si-based single-photon sources and spin-photon interfaces. The zero-phonon emission from G'-centers can be conveniently tuned by the C-concentration, leading to a systematic wavelength shift and linewidth narrowing towards low emitter densities.

cond-mat.mes-hall↗

arXiv2024

Precise characterization of a silicon carbide waveguide fiber interface

Emitters in high refractive index materials like 4H-SiC suffer from reduced detection of photons because of losses caused by total internal reflection. Thus, integration into efficient nanophotonic structures which couple the emission of photons to a well defined waveguide mode can significantly enhance the photon detection efficiency. In addition, interfacing this waveguide to a classical fiber network is of similar importance to detect the photons and perform experiments. Here, we show a waveguide fiber interface in SiC. By careful measurements we determine efficiencies exceeding 93 % for the transfer of photons from SiC nanobeams to fibers. We use this interface to create a bright single photon source based on waveguide integrated V2 defects in 4H-SiC and achieve an overall photon count rate of 181 kilo-counts per second. We observe and quantify the strain induced shift of the ground state spin states and demonstrate coherent control of the electron spin with a coherence time of T2=42.5 $\rmμ$s.

quant-ph↗

arXiv2024

Hopping of the center-of-mass of single G centers in silicon-on-insulator

Among the wealth of single fluorescent defects recently detected in silicon, the G center catches interest for its telecom single-photon emission that could be coupled to a metastable electron spin triplet. The G center is a unique defect where the standard Born-Oppenheimer approximation breaks down as one of its atoms can move between 6 lattice sites under optical excitation. The impact of this atomic reconfiguration on the photoluminescence properties of G centers is still largely unknown, especially in silicon-on-insulator (SOI) samples. Here, we investigate the displacement of the center-of-mass of the G center in silicon. We show that single G defects in SOI exhibit a multipolar emission and zero-phonon line fine structures with splittings up to $\sim1$ meV, both indicating a motion of the defect central atom over time. Combining polarization and spectral analysis at the single-photon level, we evidence that the reconfiguration dynamics are drastically different from the one of the unperturbed G center in bulk silicon. The SOI structure freezes the delocalization of the G defect center-of-mass and as a result, enables to isolate linearly polarized optical lines. Under above-bandgap optical excitation, the central atom of G centers in SOI behaves as if it were in a 6-slot roulette wheel, randomly alternating between localized crystal sites at each optical cycle. Comparative measurements in a bulk silicon sample and ab initio calculations highlight that strain is likely the dominant perturbation impacting the G center geometry. These results shed light on the importance of the atomic reconfiguration dynamics to understand and control the photoluminescence properties of the G center in silicon. More generally, these findings emphasize the impact of strain fluctuations inherent to SOI wafers for future quantum integrated photonics applications based on color centers in silicon.

quant-ph↗

arXiv2023

Strain Engineering for Transition Metal Defects in SiC

Transition metal (TM) defects in silicon carbide (SiC) are a promising platform for applications in quantum technology as some of these defects, e.g. vanadium (V), allow for optical emission in one of the telecom bands. For other defects it was shown that straining the crystal can lead to beneficial effects regarding the emission properties. Motivated by this, we theoretically study the main effects of strain on the electronic level structure and optical electric-dipole transitions of the V defect in SiC. In particular we show how strain can be used to engineer the g-tensor, electronic selection rules, and the hyperfine interaction. Based on these insights we discuss optical Lambda systems and a path forward to initializing the quantum state of strained TM defects in SiC.

cond-mat.mes-hall↗

arXiv2023

Solid state defect emitters with no electrical activity

Point defects may introduce defect levels into the fundamental band gap of the host semiconductors that alter the electrical properties of the material. As a consequence, the in-gap defect levels and states automatically lower the threshold energy of optical excitation associated with the optical gap of the host semiconductor. It is, therefore, a common assumption that solid state defect emitters in semiconductors ultimately alter the conductivity of the host. Here we demonstrate on a particular defect in 4H silicon carbide that a yet unrecognized class of point defects exists which are optically active but electrically inactive in the ground state.

cond-mat.mtrl-sci↗

arXiv2023

Carbon cluster emitters in silicon carbide

Defect qubits in 4H-SiC are outstanding candidates for numerous applications in the rapidly emerging field of quantum technology. Carbon clusters can act as emission sources that may appear after thermal oxidation of 4H-SiC or during irradiation which kicks out carbon atoms from their sites. These fluorescent carbon clusters could interfere with the already established vacancy-related qubits that generated with irradiation techniques. In this study, we systematically investigate the electronic structure, formation energy, dissociation energy, vibrational properties, and the full fluorescence spectrum of carbon clusters involving up to four carbon atoms in 4H-SiC by means of density functional theory calculations. All the possible local configurations for these carbon clusters are carefully evaluated. We find the electronic and vibronic properties of the carbon clusters depend strongly on the local configuration of the 4H-SiC lattice. By comparing the calculated and previously observed fluorescence spectra in 4H-SiC, we identify several carbon clusters as stable visible emitters in 4H-SiC. The paired carbon interstitial defects are identified as the source of the 463-nm triplet and the 456.6-nm emitters. The 471.8-nm emitter in 4H-SiC is associated with tri-carbon antisite clusters. Our findings provide plausible explanation for the origin of visible emission lines in 4H-SiC and propose the possible configurations of carbon clusters which are helpful for the quantum information processing application through qubits in 4H-SiC.

quant-ph↗

arXiv2023

\emph{Ab initio} study of (100) diamond surface spins

Unpaired electronic spins at diamond surfaces are ubiquitous and can lead to excess magnetic noise. They have been observed in several studies to date, but their exact chemical nature is still unknown. We propose a simple model to explain the existence and chemical stability of surface spins associated with the $sp^3$ dangling bond on the (100) diamond surface using density functional theory. We find that the (111) facet, which is naturally generated at a step edge of (100) crystalline diamond surface, can sterically protect a spinful defect. Our study reveals a mechanism for annihilation of these surface spins upon annealing, consistent with recent experimental results. We also demonstrate that the Fermi-contact term in the hyperfine coupling is not negligible between the surface spins and the surrounding nuclear spins, and thus \textit{ab initio} simulation can be used to devise a sensing protocol where the surface spins act as reporter spins to sense nuclear spins on the surface.

quant-ph↗

arXiv2023

The positively charged carbon vacancy defect as a near-infrared emitter in 4H-SiC

Certain intrinsic point defects in silicon carbide are promising quantum systems with efficient spin-photon interface. Despite carbon vacancy in silicon carbide is an elementary and relatively abundant intrinsic defect, no optical signal has been reported associated with it. Here, we revisit the positively charged carbon vacancy defects in the 4H polytype of silicon carbide (4H-SiC) by means of \textit{ab initio} calculations. We find that the excited state is optically active for the so-called h-site configuration of carbon vacancy in 4H-SiC, with zero-phonon line at $0.65~\mathrm{eV}$. We propose this defect as an exotic paramagnetic near-infrared emitter in the IR-B region.

quant-ph↗

arXiv2022

Detection of single W-centers in silicon

Controlling the quantum properties of individual fluorescent defects in silicon is a key challenge towards advanced quantum photonic devices prone to scalability. Research efforts have so far focused on extrinsic defects based on impurities incorporated inside the silicon lattice. Here we demonstrate the detection of single intrinsic defects in silicon, which are linked to a tri-interstitial complex called W-center, with a zero-phonon line at 1.218$μ$m. Investigating their single-photon emission properties reveals new information about this common radiation damage center, such as its dipolar orientation and its photophysics. We also identify its microscopic structure and show that although this defect does not feature electronic states in the bandgap, Coulomb interactions lead to excitonic radiative recombination below the silicon bandgap. These results could set the stage for numerous quantum perspectives based on intrinsic luminescent defects in silicon, such as quantum integrated photonics, quantum communications and quantum sensing.

quant-ph↗

arXiv2021

Ultraviolet quantum emitters in $h$-BN from carbon clusters

Ultraviolet (UV) quantum emitters in hexagonal boron nitride (hBN) have generated considerable interest due to their outstanding optical response. Recent experiments have identified a carbon impurity as a possible source of UV single photon emission. Here, based on the first principles calculations, we systematically evaluate the ability of substitutional carbon defects to develop the UV colour centres in hBN. Of seventeen defect configurations under consideration, we particularly emphasize the carbon ring defect (6C), for which the calculated zero-phonon line (ZPL) agrees well the experimental 4.1-eV emission signal. We also compare the optical properties of 6C with those of other relevant defects, thereby outlining the key differences in the emission mechanism. Our findings provide new insights about the large response from this colour centre to external perturbations and pave the way to a robust identification of the particular carbon substitutional defects by spectroscopic methods.

quant-ph↗

arXiv2021

Identification of a telecom wavelength single photon emitter in silicon

We identify the exact microscopic structure of the G photoluminescence center in silicon by first principles calculations with including a self-consistent many-body perturbation method, which is a telecommunication wavelength single photon source. The defect constitutes of $\text{C}_\text{s}\text{C}_\text{i}$ carbon impurities in its $\text{C}_\text{s}-\text{Si}_\text{i}-\text{C}_\text{s}$ configuration in the neutral charge state, where $s$ and $i$ stand for the respective substitutional and interstitial positions in the Si lattice. We reveal that the observed fine structure of its optical signals originates from the athermal rotational reorientation of the defect. We attribute the monoclinic symmetry reported in optically detected magnetic resonance measurements to the reduced tunneling rate at very low temperatures. We discuss the thermally activated motional averaging of the defect properties and the nature of the qubit state.

quant-ph↗