arXiv subjects

Gergő Thiering

Publications and source records attributed to Gergő Thiering.

At least 19 recordsLinked to original sources

arXiv2026

Increased cyclicity of atomic transitions via coherent interference of decay paths

Optical readout is a fundamental tool in atomic state measurement, yet the fidelity of optical readout is frequently limited by imperfect photon collection. This can be mitigated when readout occurs on a cycling transition which continuously fluoresces under resonant excitation, thus increasing signal and enabling single-shot readout. We present a method to extend the cyclicity of atomic transitions via coherent destructive interference between spurious decay paths. We describe the characteristics of atomic systems in which this method can be implemented and model several examples in which the number of emitted photons is increased by multiple orders of magnitude.

quant-ph↗

arXiv2026

Enhanced Emission from Boron-Vacancy Center in Rhombohedral Boron Nitride

Boron nitride is a layered crystal whose properties depend on how its atomic sheets are stacked. Its negatively charged boron vacancy is a well-established magnetic defect that can be prepared and read out optically, but in the common hexagonal form it emits very little light, because the symmetry of the surrounding lattice forbids the relevant optical transition. Here we show, using first-principles calculations, that stacking the sheets in the rhombohedral sequence instead removes this restriction and increases the emitted intensity by one to two orders of magnitude, while the magnetic properties remain comparable or improve. We predict that the resulting emission is bright enough for a single defect to be addressed at room temperature, and that a sharp emission line, absent in the hexagonal form, should appear on cooling. Stacking order therefore acts as a design parameter for tailoring the quantum properties of defects embedded in layered materials.

quant-ph↗

arXiv2026

Unraveling the electronic structure of silicon vacancy centers in 4H-SiC

Point defects in silicon carbide (SiC), particularly the negatively-charged silicon vacancy ($\mathrm{V_{Si}^{-}}$) in 4H-SiC, are leading candidates for scalable quantum technologies due to their favorable spin-optical properties and compatibility with industrial semiconductor fabrication processes. Comprehensive knowledge of a defect's electronic structure is essential for interpreting spin-optical dynamics and for the reliable design and optimization of defect-based quantum devices. Despite extensive study, our knowledge of the electronic structure of $\mathrm{V_{Si}^{-}}$\ is limited since key excited-state manifolds have remained inaccessible to conventional steady-state spectroscopy. In this study, transient absorption spectroscopy is utilized to probe non-equilibrium electronic transitions of $\mathrm{V_{Si}^{-}}$\ and to uncover previously unobserved excited states. The first direct observation of the elusive V2' quartet transition is presented, with its broad spectral signature attributed to nonadiabatic vibronic coupling. Within the spin-doublet manifold, which is central to optically detected magnetic resonance (ODMR) but has remained unresolved spectroscopically, multiple optical transitions are identified. The complete electronic level structure in the relevant energy range is elucidated by combining polarization-resolved spectroscopy, group-theoretical analysis, quantum embedding calculations and first-principles optical lineshape modeling. Collectively, these results provide a microscopic understanding of the $\mathrm{V_{Si}^{-}}$\ electronic structure. Our approach also establishes a general framework for resolving and understanding complex excited-state manifolds in wide-bandgap color centers.

cond-mat.mtrl-sci↗

arXiv2026

Magneto-optical properties of the neutral silicon-vacancy center in diamond under extreme isotropic strain fields

The neutral silicon--vacancy (SiV$^{0}$) center in diamond combines inversion symmetry with optical emission, making it a robust quantum emitter resilient to stray electric fields. Using first-principles density-functional theory, we quantify its response to isotropic strain spanning strong compression and tensile regimes (effective hydrostatic pressures of approximately $-80$ to $180$~GPa). The coexistence of doubly degenerate $e_g$ and $e_u$ levels produces a structural instability captured by a quadratic product Jahn--Teller model. Under isotropic compression, the zero-phonon line blue-shifts nearly linearly while the $E_g$ phonon stiffens, suppressing vibronic instabilities and reducing Jahn--Teller quenching. Consequently, the Ham-reduced excited-state spin--orbit splitting increases substantially and the dark--bright vibronic gap widens. In contrast, isotropic tensile strain enhances vibronic effects and induces symmetry breaking beyond a critical strain, with tunneling-mediated dynamical averaging at the onset. Throughout the symmetry-preserving regime, parity remains well defined, so isotropic strain alone does not activate the dark transition. Charge-transition levels indicate photostability of the emission deep into the compressive regime, and near the highest photostable deformation ($\sim 100$~GPa), the radiative lifetime increases due to a reduced transition dipole moment despite the increasing optical energy. These trends yield compact calibration relations linking optical and spin observables to isotropic strain and establish SiV$^{0}$ as a symmetry-protected, strain-tunable quantum emitter operating into the multi-megabar-equivalent regime.

quant-ph↗

arXiv2026

Coherent Spin-Photon Interface of single PL6 Color Centers in Silicon Carbide

The PL6 color center in silicon carbide has recently emerged as a promising platform for quantum information processing, yet its coherent spin--photon interface has remained largely unexplored. Here we present a comprehensive investigation of single PL6 centers, combining spectroscopy with theoretical analysis. The excited-state fine structure is fully resolved using group-theoretical modeling and strain-dependent measurements. Under resonant excitation, we achieve a spin initialization fidelity of $99.69 \pm 0.03\%$ and a readout contrast of $98.31 \pm 1.03\%$. The spin--photon--entangled $A_2$ transition exhibits narrow optical linewidths ($\sim 180$~MHz) and a polarization visibility of $\sim 82\%$. Coherent optical driving enables Rabi frequencies up to $2.895$~GHz, while dynamical decoupling extends the spin coherence time from $0.5$~ms to $5.70$~ms. Our results establish PL6 as a competitive solid-state spin--photon interface hosted in a commercially available semiconductor platform.

quant-ph↗

arXiv2025

Spin-Phonon Relaxation of Boron-Vacancy Centers in Two-Dimensional Boron Nitride Polytypes

Two-dimensional (2D) materials hosting color centers and spin defects are emerging as key platforms for quantum technologies. However, the impact of reduced dimensionality on the spin-lattice relaxation time ($T_1$) of embedded defect spins -- critical for quantum applications -- remains largely unexplored. In this study, we present a systematic first-principles investigation of the negatively charged boron-vacancy (V$_{\text{B}}^-$) defect in monolayer boron nitride (BN), as well as in AA$^\prime$-stacked hexagonal BN (hBN) and ABC-stacked rhombohedral BN (rBN). Our results reveal that the $T_1$ times of V$_{\text{B}}^-$ in monolayer BN and hBN are nearly identical at room temperature. Surprisingly, despite the symmetry reduction in rBN opening additional spin relaxation channels, V$_{\text{B}}^-$ exhibits a longer $T_1$ compared to hBN. We attribute this effect to the stiffer out-of-plane phonon modes in rBN, which activate spin-phonon relaxation at reduced strength. These findings suggest that V$_{\text{B}}^-$ in rBN offers enhanced spin coherence properties, making it a promising candidate for quantum technology applications.

quant-ph↗

arXiv2025

Magneto-optical properties of Group-IV--vacancy centers in diamond upon hydrostatic pressure

In recent years, the negatively charged group-IV--vacancy defects in diamond, labeled as G4V(-) or G4V centers, have attracted significant attention in quantum information processing. In this study, we investigate the magneto-optical properties of G4V centers under high compressive hydrostatic pressures up to 180 GPa. The spin-orbit splitting of the electronic ground and excited states, as well as the hyperfine tensors, are calculated using plane-wave supercell density functional theory, providing distinctive fingerprints that uniquely characterize these defects. To this end, we develop a theory for calculating the hyperfine tensors when the electronic states are subject to the Jahn--Teller effect. We find that the zero-phonon-line energy increases with hydrostatic pressure, with the deformation potential increasing from SiV(-) to PbV(-). On the other hand, our calculated photoionization threshold energies indicate that PbV(-)-based quantum sensors can operate only up to 32 GPa, whereas SnV(-), GeV(-), and SiV(-) remain photostable up to 180 GPa. We also find that the spin-orbit splitting increases in both the electronic ground and excited states with increasing pressure. The optical transitions associated with the hyperfine fine structure of the dopant atoms are interpreted using our theoretical framework, which reproduces existing experimental data at zero strain. We show that the hyperfine levels are weakly dependent on magnetic field, and increasing pressure leads to optical transitions at longer wavelengths. Finally, we estimate the spin coherence times of the G4V centers under increasing hydrostatic pressure across different temperature regimes.

quant-ph↗

arXiv2025

Nuclear spin relaxation in solid state defect quantum bits via electron-phonon coupling in their optical excited state

Optically accessible solid state defect spins serve as a primary platform for quantum information processing, where precise control of the electron spin and ancillary nuclear spins is essential for operation. Using the nitrogen-vacancy (NV) color center in diamond as an example, we employ a combined group theory and density functional theory study to demonstrate that spin-lattice relaxation of the $^{14}$N nuclear spin is significantly enhanced due to strong entanglement with orbital degrees of freedom in the $|^3E\rangle$ optical excited state of the defect. This mechanism is common to other solid-state defect nuclear spins with similar optical excited states. Additionally, we propose a straightforward and versatile \textit{ab initio} scheme for predicting orbital-dependent spin Hamiltonians for trigonal defects exhibiting orbital degeneracy.

quant-ph↗

arXiv2025

Theory of optical spin polarization of axial divacancy and nitrogen-vacancy defects in 4H-SiC

The neutral divacancy and the negatively charged nitrogen-vacancy defects in 4H-silicon carbide (SiC) are two of the most prominent candidates for functioning as room-temperature quantum bits (qubits) with telecommunication-wavelength emission. Nonetheless, the pivotal role of electron-phonon coupling in the spin polarization loop is still unrevealed. In this work, we theoretically investigate the microscopic magneto-optical properties and spin-dependent optical loops utilizing the first-principles calculations. First, we quantitatively demonstrate the electronic level structure, assisted by symmetry analysis. Moreover, the fine interactions, including spin-orbit coupling and spin-spin interaction, are fully characterized to provide versatile qubit functional parameters. Subsequently, we explore the electron-phonon coupling, encompassing dynamics- and pseudo-Jahn--Teller effects in the intersystem crossing transition. In addition, we analyze the photoluminescence PL lifetime based on the major transition rates in the optical spin polarization loop. We compare two promising qubits with similar electronic properties, but their respective rates differ substantially. Finally, we detail the threshold of ODMR contrast for further optimization of the qubit operation. This work not only reveals the mechanism underlying the optical spin polarization but also proposes productive avenues for optimizing quantum information processing tasks based on the ODMR protocol.

quant-ph↗

arXiv2024

Optical lineshapes for orbital singlet to doublet transitions in a dynamical Jahn-Teller system: the NiV$^{-}$ center in diamond

We apply density functional theory to investigate interactions between electronic and vibrational states in crystal defects with multi-mode dynamical Jahn-Teller (JT) systems. Our focus is on transitions between orbital singlet and degenerate orbital doublet characterized by $E \otimes (e \oplus e \oplus \cdots)$ JT coupling, which frequently occurs in crystal defects that are investigated for applications in quantum information science. We utilize a recently developed methodology to model the photoluminescence (PL) spectrum of the negatively charged split nickel-vacancy center (NiV$^{-}$) in diamond, where JT-active modes significantly influence electron-phonon interactions. Our results validate the effectiveness of the methodology in accurately reproducing the observed 1.4 eV PL lineshape. The strong agreement between our theoretical predictions and experimental observations reinforces the identification of the 1.4 eV PL center with the NiV$^{-}$ complex. This study highlights the critical role of JT-active modes in affecting optical lineshapes and demonstrates the power of advanced techniques for modeling optical properties in complex systems with multiple JT-active frequencies.

cond-mat.mtrl-sci↗

arXiv2024

Terahertz Emission From Diamond Nitrogen-Vacancy Centers

Coherent light sources emitting in the terahertz range are highly sought after for fundamental research and applications. THz lasers rely on achieving population inversion. We demonstrate the generation of THz radiation using nitrogen-vacancy (NV) centers in a diamond single crystal. Population inversion is achieved through the Zeeman splitting of the $S=1$ state in $15\ \text{T}$, resulting in a splitting of $0.42\ \text{THz}$, where the middle $S_z=0$ sublevel is selectively pumped by visible light. To detect the THz radiation, we utilize a phase-sensitive THz setup, optimized for electron spin resonance measurements (ESR). We determine the spin-lattice relaxation time up to $15\ \text{T}$ using the light-induced ESR measurement, which shows the dominance of phonon-mediated relaxation and the high efficacy of the population inversion. The THz radiation is tunable by the magnetic field, thus these findings may lead to the next generation of tunable coherent THz sources.

physics.optics↗

arXiv2023

Resonant versus non-resonant spin readout of a nitrogen-vacancy center in diamond under cryogenic conditions

The last decade has seen an explosive growth in the use of color centers for metrology applications, the paradigm example arguably being the nitrogen-vacancy (NV) center in diamond. Here, we focus on the regime of cryogenic temperatures and examine the impact of spin-selective, narrow-band laser excitation on NV readout. Specifically, we demonstrate a more than four-fold improvement in sensitivity compared to that possible with non-resonant (green) illumination, largely due to a boost in readout contrast and integrated photon count. We also leverage nuclear spin relaxation under resonant excitation to polarize the 14N host, which we then prove beneficial for spin magnetometry. These results open opportunities in the application of NV sensing to the investigation of condensed matter systems, particularly those exhibiting superconducting, magnetic, or topological phases selectively present at low temperatures.

cond-mat.mes-hall↗

arXiv2023

Spin-orbit coupling and Jahn-Teller effect in $T_d$ symmetry: an \textit{ab initio} study on the substitutional nickel defect in diamond

We analyze the spin-orbit and Jahn-Teller interactions in $T_d$ symmetry that are relevant for substitutional transition metal defects in semiconductors. We apply our theory to the substitutional nickel defect in diamond and compute the appropriate fine-leve structure and magneto-optical parameters by means of hybrid density functional theory. Our calculations confirm the intepretations of previous experimental findings that the 2.56-eV and 2.51-eV optical centres are associated with this defect. Our analysis of the electronic structure unravels possible mechanisms behind the observed optical transitions and the optically detected magnetic resonance signal, too.

cond-mat.mtrl-sci↗

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↗

arXiv2023

Investigation of oxygen-vacancy complexes in diamond by means of \textit{ab initio} calculations

Point defects in diamond may act as quantum bits. Recently, oxygen-vacancy related defects have been proposed to the origin of the so-called ST1 color center in diamond that can realize a long-living solid-state quantum memory. Motivated by this proposal we systematically investigate oxygen-vacancy complexes in diamond by means of first principles density functional theory calculations. We find that all the considered oxygen-vacancy defects have a high-spin ground state in their neutral charge state, which disregards them as an origin for the ST1 color center. We identify a high-spin metastable oxygen-vacancy complex and characterize their magnetooptical properties for identification in future experiments.

cond-mat.mtrl-sci↗

arXiv2022

Optical properties of SiV and GeV color centers in nanodiamonds under hydrostatic pressures up to 180 GPa

We investigate the optical properties of silicon-vacancy (SiV) and germanium-vacancy (GeV) color centers in nanodiamonds under hydrostatic pressure up to 180 GPa. The nanodiamonds were synthetized by Si or Ge-doped plasma assisted chemical vapor deposition and, for our experiment, pressurized in a diamond anvil cell. Under hydrostatic pressure we observe blue-shifts of the SiV and GeV zero-phonon lines by 17 THz (70 meV) and 78 THz (320 meV), respectively. These measured pressure induced shifts are in good agreement with ab initio calculations that take into account the lattice compression based on the equation of state of diamond and that are extended to the case of the tin-vacancy (SnV) center. This work provides guidance on the use of group-IV-vacancy centers as quantum sensors under extreme pressures that will exploit their specific optical and spin properties induced by their intrinsic inversion-symmetric structure.

quant-ph↗

arXiv2022

A telecom O-band emitter in diamond

Color centers in diamond are promising platforms for quantum technologies. Most color centers in diamond discovered thus far emit in the visible or near-infrared wavelength range, which are incompatible with long-distance fiber communication and unfavorable for imaging in biological tissues. Here, we report the experimental observation of a new color center that emits in the telecom O-band, which we observe in silicon-doped bulk single crystal diamonds and microdiamonds. Combining absorption and photoluminescence measurements, we identify a zero-phonon line at 1221 nm and phonon replicas separated by 42 meV. Using transient absorption spectroscopy, we measure an excited state lifetime of around 270 ps and observe a long-lived baseline that may arise from intersystem crossing to another spin manifold.

cond-mat.mtrl-sci↗

arXiv2021

Quantum sensor in a single layer van der Waals material

Point defect qubits in semiconductors have demonstrated their outstanding high spatial resolution sensing capabilities of broad multidisciplinary interest. Two-dimensional (2D) semiconductors hosting such sensors have recently opened up new horizons for sensing in the subnanometer scales in 2D heterostructures. However, controlled creation of quantum sensor in a single layer 2D materials with high sensitivity has been elusive so far. Here, we report on a novel 2D quantum sensor, the VB2 centre in hexagonal boron nitride (hBN), with superior sensing capabilities. The centre's inherently low symmetry configuration gives rise to unique electronic and spin properties that implement a qubit in a 2D material with unprecedented sensitivity. The qubit is decoupled from its dense spin environment at low magnetic fields that gives rise to the reduction of the spin resonance linewidth and elongation of the coherence time. The VB2 centre is also equipped with a classical memory that can be utilized in storing population information. Using scanning transmission electron microscopy imaging, we confirm the presence of the point defect structure in free standing monolayer hBN created by electron beam irradiation. Our results provide a new material solution towards atomic-scale sensing in low dimensions.

cond-mat.mes-hall↗