Impurity Model Research Articles

Controlling the interactions in a cold atom quantum impurity system

We implement an experimental architecture in which a single atom of K is trapped in an optical tweezer, and is immersed in a bath of Rb atoms at ultralow temperatures. In this regime, the motion of the single trapped atom is confined to the lowest quantum vibrational levels. This realizes an elementary and fully controllable quantum impurity system. For the trapping of the K atom, we use a species-selective dipole potential, that allows us to independently manipulate the quantum impurity and the bath. We concentrate on the characterization and control of the interactions between the two subsystems. To this end, we perform Feshbach spectroscopy, detecting several inter-dimensional confinement-induced Feshbach resonances for the KRb interspecies scattering length, that parametrizes the strength of the interactions. We compare our data to a theory for inter-dimensional scattering, finding good agreement. Notably, we also detect a series of p-wave resonances stemming from the underlying free-space s-wave interactions. We further determine how the resonances behave as the temperature of the bath and the dimensionality of the interactions change. Additionally, we are able to screen the quantum impurity from the bath by finely tuning the wavelength of the light that produces the optical tweezer, providing us with a new effective tool to control and minimize the interactions. Our results open a range of new possibilities in quantum simulations of quantum impurity models, quantum information, and quantum thermodynamics, where the interactions between a quantized system and the bath is a powerful yet largely underutilized resource.

An impurity model in a random magnetic field

We explore the destruction of the Kondo interaction due to a random magnetic field. Using entanglement measures, the Kondo length and the impurity entropy are analyzed. We identify a critical magnetic field amplitude hc at which the destruction happens. We find that hc scales with the Kondo temperature of the model.

Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models

Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid quantum-classical algorithms such as variational quantum eigensolvers emerge as a potential solution for quantum impurity models. A common challenge in these algorithms is the rapid growth of the number of variational parameters with the number of spin-orbitals in the impurity. In our approach to this problem, we develop compact using a combination of two different strategies. First, we employ a compact physics-inspired , k-unitary cluster Jastrow , developed in the field of quantum chemistry. Second, we eliminate largely redundant variational parameters of physics-inspired associated with bath sites based on physical intuition. This is based on the fact that a quantum impurity model with a star-like geometry has no direct hopping between bath sites. We benchmark the accuracy of these for both ground-state energy and dynamic quantities by solving typical quantum impurity models with and without shot noise. The results suggest that we can maintain the accuracy of ground-state energy while we drop the number of variational parameters associated with bath sites. Furthermore, we demonstrate that a moment expansion, when combined with the proposed , can calculate the imaginary-time Green's functions under the influence of shot noise. This study demonstrates the potential for addressing complex impurity models in large-scale quantum simulations with fewer variational parameters without sacrificing accuracy. Published by the American Physical Society 2024

Magnetic impurity states of a Fermi system in a local magnetic field

The ultracold atomic Fermi gas provides a flexible and controllable experimental platform for exploring magnetic impurity states. In this study, we theoretically examine the magnetic impurity states in a Fermi system with spin-1/2 and spin-3/2 under a local magnetic field. Firstly, the spin-1/2 impurity system contains three types of magnetic solutions. One type magnetic solution with higher energy can be regarded as the result of induced magnetization of a trivial solution, while the other two types magnetic solutions with lower energy can be understood as the results of Zeeman splitting of nontrivial solutions with double degeneracy. Notably, the magnetic solution corresponding to the spin state parallel to the Zeeman magnetic field is always the most stable in terms of the energy. Secondly, we extend the idea of studying spin-1/2 impurity to spin-3/2 impurity, where the half-filled state of impurity atoms is calculated. We found that four types of magnetic solutions at zero magnetic field were split into four, six, four, and twelve new magnetic solutions in the presence of a Zeeman magnetic field, respectively. We obtained that the magnetic solution corresponding to the spin state parallel to the magnetic field is the most stable, and its energy is lower than that of the corresponding magnetic solution at zero magnetic field. Therefore, the introduction of a local magnetic field is beneficial for the formation of magnetic impurity states. Finally, the calculated data illustrate that the Anderson impurity model we adopt exhibits invariance under the combined transformations of spin-flip and particle–hole.

Nanoscale single-electron box with a floating lead for quantum sensing: Modeling and device characterization

We present an in-depth analysis of a single-electron box (SEB) biased through a floating node technique that is common in charge-coupled devices. The device is analyzed and characterized in the context of single-electron charge sensing techniques for integrated silicon quantum dots (QD). The unique aspect of our SEB design is the incorporation of a metallic floating node, strategically employed for sensing and precise injection of electrons into an electrostatically formed QD. To analyze the SEB, we propose an extended multi-orbital Anderson impurity model (MOAIM), adapted to our nanoscale SEB system, that is used to predict theoretically the behavior of the SEB in the context of a charge sensing application. The validation of the model and the sensing technique has been carried out on a QD fabricated in a fully depleted silicon on insulator process (FD-SOI) on a 22-nm CMOS technology node. We demonstrate the MOAIM's efficacy in predicting the observed electronic behavior and elucidating the complex electron dynamics and correlations in the SEB. The results of our study reinforce the versatility and precision of the model in the realm of nanoelectronics and highlight the practical utility of the metallic floating node as a mechanism for charge injection and detection in integrated QDs. Finally, we identify the limitations of our model in capturing higher order effects observed in our measurements and propose future outlooks to reconcile some of these discrepancies.

Linear response of molecular polaritons.

In this article, we show that the collective light-matter strong coupling regime where N molecular emitters couple to the photon mode of an optical cavity can be mapped to a quantum impurity model where the photon is the impurity that is coupled to a bath of anharmonic transitions. In the thermodynamic limit where N ≫ 1, we argue that the bath can be replaced with an effective harmonic bath, leading to a dramatic simplification of the problem into one of the coupled harmonic oscillators. We derive simple analytical expressions for linear optical spectra (transmission, reflection, and absorption) where the only molecular input required is the molecular linear susceptibility. This formalism is applied to a series of illustrative examples, showing the role of temperature, disorder, vibronic coupling, and optical saturation of the molecular ensemble, explaining that it is useful even when describing an important class of nonlinear optical experiments. For completeness, we provide Appendixes A-C that include a self-contained derivation of the relevant spectroscopic observables for arbitrary anharmonic systems (for both large and small N) within the rotating-wave approximation. While some of the presented results herein have already been reported in the literature, we provide a unified presentation of the results as well as new interpretations that connect powerful concepts in open quantum systems and linear response theory with molecular polaritonics.

Prediction of impurity spectrum function by deep learning algorithm

By using the numerical renormalization group (NRG) method, we construct a large dataset with about one million spectral functions of the Anderson quantum impurity model. The dataset contains the density of states (DOS) of the host material, the strength of Coulomb interaction between on-site electrons (U), and the hybridization between the host material and the impurity site (Γ). The continued DOS and spectral functions are stored with Chebyshev coefficients and wavelet functions, respectively. From this dataset, we build seven different machine learning networks to predict the spectral function from the input data, DOS, U, and Γ. Three different evaluation indexes, mean absolute error (MAE), relative error (RE) and root mean square error (RMSE), are used to analyze the prediction abilities of different network models. Detailed analysis shows that, for the two kinds of widely used recurrent neural networks (RNNs), gate recurrent unit (GRU) has better performance than the long short term memory (LSTM) network. A combination of bidirectional GRU (BiGRU) and GRU has the best performance among GRU, BiGRU, LSTM, and BiLSTM. The MAE peak of BiGRU+GRU reaches 0.00037. We have also tested a one-dimensional convolutional neural network (1DCNN) with 20 hidden layers and a residual neural network (ResNet), we find that the 1DCNN has almost the same performance of the BiGRU+GRU network for the original dataset, while the robustness testing seems to be a little weak than BiGRU+GRU when we test all these models on two other independent datasets. The ResNet has the worst performance among all the seven network models. The datasets presented in this paper, including the large data set of the spectral function of Anderson quantum impurity model, are openly available at https://doi.org/10.57760/sciencedb.j00113.00192.

Non-perturbative intertwining between spin and charge correlations: A ``smoking gun'' single-boson-exchange result

We study the microscopic mechanism controlling the interplay between local charge and local spin fluctuations in correlated electron systems via a thorough investigation of the generalized on-site charge susceptibility of several fundamental many-electron models, such as the Hubbard atom, the Anderson impurity model, and the Hubbard model. By decomposing the numerically determined generalized susceptibility in terms of physically transparent single-boson exchange processes, we unveil the microscopic mechanisms responsible for the breakdown of the self-consistent many-electron perturbation expansion. In particular, we unambiguously identify the origin of the significant suppression of its diagonal entries in (Matsubara) frequency space and the slight increase of the off-diagonal ones which cause the breakdown. The suppression effect on the diagonal elements originates directly from the electronic scattering on local magnetic moments, reflecting their increasingly longer lifetime as well as their enhanced effective coupling with the electrons. Instead, the slight and diffuse enhancement of the off-diagonal terms can be mostly ascribed to multiboson scattering processes. The strong intertwining between spin and charge sectors is partly weakened at the Kondo temperature due to a progressive reduction of the effective spin-fermion coupling of local magnetic fluctuations in the low frequency regime. Our analysis, thus, clarifies the precise mechanism through which the physical information is transferred between different scattering channels of interacting electron problems and highlights the pivotal role played by such an intertwining in the physics of correlated electrons beyond the perturbative regime.

3D radiated power analysis of JET SPI discharges using the Emis3D forward modeling tool

Precise values for radiated energy in tokamak disruption experiments are needed to validate disruption mitigation techniques for burning plasma tokamaks like ITER and SPARC. Control room analysis of radiated power (P rad) on JET assumes axisymmetry, since fitting 3D radiation structures with limited bolometry coverage is an under-determined problem. In mitigated disruptions, radiation is toroidally asymmetric and 3D, due to fast-growing 3D MHD modes and localized impurity sources. To address this problem, Emis3D adopts a physics motivated forward modeling (‘guess and check’) approach, comparing experimental bolometry data to synthetic data from user-defined radiation structures. Synthetic structures are observed with the Cherab modeling framework and a best fit chosen using a reduced χ 2 statistic. 2D tomographic inversion models are tested, as well as helical flux tubes and 3D MHD simulated structures from JOREK. Two nominally identical pure neon shattered pellet injection (SPI) mitigated discharges in JET are analyzed. 2D tomographic inversions with added toroidal freedom are the best fits in the thermal quench (TQ) and current quench (CQ). In the pre-TQ, 2D reconstructions are statistically the best fits, but are likely over-optimized and do not capture the 3D radiation structure seen in fast camera images. The next-best pre-TQ fits are helical structures that extend towards the high-field side, consistent with an impurity flow under the magnetic nozzle effect also observed in JOREK simulations. Whole-disruption radiated fractions of 0.98+0.03/ −0.29 and 1.01+0.02/−0.17 are found, suggesting that the stored energy may have been fully mitigated by each SPI, although mitigation efficiencies well below ITER and SPARC requirements for high energy pulses are still within the large uncertainties. Emis3D is also used to validate JOREK SPI simulations, and confirms improvements in matching experiment from changes to impurity modeling. Time-dependent toroidal peaking factors are calculated and discussed.

Fermionic matter-wave quantum optics with cold-atom impurity models

Fermionic matter-wave quantum optics with cold-atom impurity models

Grassmann time-evolving matrix product operators for quantum impurity models

Grassmann time-evolving matrix product operators for quantum impurity models

UEDGE modeling of plasma detachment of CFETR with ITER‐like divertor geometry by external impurity seeding

AbstractEfficient handling of high heat flux on the plasma‐facing components, particularly the divertor targets, poses a significant challenge for the Chinese Fusion Engineering Testing Reactor (CFETR) with fusion power of Gigawatt. This work investigates the divertor plasma detachment of CFETR with a standard ITER‐like divertor geometry by neon (Ne) or argon (Ar) impurity seeding using UEDGE code. The cross‐field drifts terms are switched off, and fluid neutral models and a “fixed‐fraction” impurity model are applied to enable efficient simulations for the study of CFETR detachment. In order to reduce the heat load on the divertor targets below the acceptable level (<10 MW/m2), the impurity fraction (f), pumping speed (S), and upstream density are varied to identify the suitable operations window during Ne seeding. The effects of Ne and Ar impurities on the plasma detachment are compared. It is found that with the power across the core‐edge interface PSOL = 200 MW and separatrix density of 2.8 1019 , Ne impurity fraction ≥1.7%, and Ar impurity fraction ≥0.24% can achieve the partial detachment. Achieving similar total radiation power (˜148 MW), the Ne fraction is 2.3% and the Ar fraction is 0.24%. Moreover, the simulation results indicate that Ar exhibits better power radiation efficiency and core compatibility compared with Ne.

Grassmann time-evolving matrix product operators for equilibrium quantum impurity problems

Tensor-network-based methods are promising candidates to solve quantum impurity problems (QIP). They are free of sampling noises and the sign problem compared to state-of-the-art continuous-time quantum Monte Carlo methods. Recent progress made in tensor-network-based impurity solvers is to use the Feynman–Vernon influence functional to integrate out the bath analytically, retaining only the impurity dynamics and representing it compactly as a matrix product state. The recently proposed Grassmann time-evolving matrix product operator (GTEMPO) method is one of the representative methods in this direction. In this work, we systematically study the performance of GTEMPO in solving equilibrium QIPs at a finite temperature with a semicircular spectrum density of the bath. Our results show that its computational cost would generally increase as the temperature goes down and scale exponentially with the number of orbitals. In particular, the single-orbital Anderson impurity model can be efficiently solved with this method, for two orbitals we estimate that one could possibly reach inverse temperature β ≈ 20 if high-performance computing techniques are utilized, while beyond that only very high-temperature regimes can be reached in the current formalism. Our work paves the way to apply GTEMPO as an imaginary-time impurity solver.

Transition to chaos in extended systems and their quantum impurity models

Chaos sets a fundamental limit to quantum-information processing schemes. We study the onset of chaos in spatially extended quantum many-body systems that are relevant to quantum optical devices. We consider an extended version of the Tavis–Cummings model on a finite chain. By studying level-spacing statistics, adjacent gap ratios, and spectral form factors, we observe the transition from integrability to chaos as the hopping between the Tavis–Cummings sites is increased above a finite value. The results are obtained by means of exact numerical diagonalization which becomes notoriously hard for extended lattice geometries. In an attempt to circumvent these difficulties, we identify a minimal single-site quantum impurity model that successfully captures the spectral properties of the lattice model. This approach is intended to be adaptable to other lattice models with large local Hilbert spaces.

The PointGroupNRG code for numerical renormalization group calculations with discrete point-group symmetries

The numerical renormalization group (NRG) has been widely used as a magnetic impurity solver since the pioneering works by Wilson. Over the past decades, a significant attention has been focused on the application of symmetries in order to reduce the computational cost of the calculations and to improve their accuracy. In particular, a notable progress has been made in implementing continuous symmetries such as SO(3), useful for studying impurities in an isotropic medium, or SU(N), which is applicable to a wide range of systems. In this work, we focus on the application of discrete point group symmetries, which are particularly relevant for impurity systems in metals where crystal field effects are important. With this aim, we have developed an original NRG code written in the Julia language, PointGroupNRG, where we have implemented crystal point-group symmetries for the Anderson impurity model, as well as the continuous spin and charge symmetries. Among other results, we demonstrate the advantage of our procedure by applying the code to a two-impurity model with RKKY interaction and an impurity system with two orbitals of Eg symmetry and two channels. We also provide benchmarks to show the performance improvements obtained by exploiting the orbital symmetries.

Rigorous Wilsonian renormalization group for impurity models with a spectral gap

Rigorous Wilsonian renormalization group for impurity models with a spectral gap

Kondo frustration via charge fluctuations: a route to Mott localisation

We propose a minimal effective impurity model that captures the phenomenology of the Mott–Hubbard metal–insulator transition of the half-filled Hubbard model on the Bethe lattice in infinite dimensions as observed by dynamical mean field theory (DMFT). This involves extending the standard Anderson impurity model Hamiltonian to include an explicit Kondo coupling J, as well as a local on-site correlation Ub on the conduction bath site connected directly to the impurity. For the case of attractive local bath correlations (), the extended Anderson impurity model (e-SIAM) sheds new light on several aspects of the DMFT phase diagram. For example, the T = 0 metal-to-insulator quantum phase transition (QPT) is preceded by an excited state QPT (ESQPT) where the local moment eigenstates are emergent in the low-lying spectrum. Long-ranged fluctuations are observed near both the QPT and ESQPT, suggesting that they are the origin of the quantum critical scaling observed recently at high temperatures in DMFT simulations. The T = 0 gapless excitations at the quantum critical point display particle-hole interconversion processes, and exhibit power-law behaviour in self-energies and two-particle correlations. These are signatures of non-Fermi liquid behaviour that emerge from the partial breakdown of the Kondo screening.

Slowly decaying zero mode in a weakly nonintegrable boundary impurity model

Slowly decaying zero mode in a weakly nonintegrable boundary impurity model

Efficient and sustainable bleaching of cotton/spandex integrating UVA radiation and peroxide activator: A study focus on the degradation mechanism of natural pigments in fibres

Establishing an energy/water-saving bleaching process is highly expected by textile plants to reduce industrial carbon emission, wastewater discharge and general cost. Therefore, an efficient UVA-assisted N-[4-(triethylammoniomethyl)-benzoyl]- caprolactam-chloride (TBCC) -activated hydrogen peroxide (H2O2) bleaching strategy at ambient temperature for cotton/spandex (C/S) fabric was developed in this study. Results reveal that 7.4 g/L of TBCC-activated H2O2 (30%) achieves a slightly higher whiteness index (WI) on C/S fabrics than those only treated with 60 g/L H2O2 (30%). The treated C/S fabric displays a good dyeability using direct dyes due to the qualified wettability. The mild pH process protects C/S fabrics from damage with a low tensile loss (less than 10%) in warp and weft directions. The WI of C/S fabric mainly depends on the concentration of TBCC/H2O2 couple and radiation time. Moreover, the degradation mechanism of cotton pigment in UVA/TBCC/H2O2 bleaching system was implemented including the identification of effective reactive oxygen species (ROS), tracking of the concentration variation of hydroxyl radical (HO•) under UVA irradiation, and the exploration of degrading kinetics and pathway of morin as the model of pigment impurity. Indicated by the degradation rate constant, both TBCC and UVA plays an accelerating role in enhancing the degradation efficiency. In the radical scavenging experiment, HO• and superoxide radical (O2–•) are two major ROS participating in the degradation. And therein, HO• makes larger contribution than O2–•. HO• concentration has a high positive correlation with radiation duration and TBCC dosage based on the fluorescence labelling method. Confirmed by LC-MS/MS analyses, 2,4,6-trihydroxybenzoic acid (MW: 170.12) and 2,4,-dihydroxybenzoic acid (MW: 154.12) are two major segments degraded from the oxidation and ring-opening of C-ring in morin. Finally, considering energy, water and chemical conservations, the condition i.e. 7.4 g/L of H2O2 (30%) and 20 g/L of TBCC under 30 W UVA radiation for 1 h, is recommended, which significantly increases the WI by 46.5%, and saves about 90% energy and 50% water consumption compared with the conventional waterbath bleaching at 95 °C for 45 min when similar WI enhancement was achieved.

Transport and Entanglement across Integrable Impurities from Generalized Hydrodynamics.

Quantum impurity models (QIMs) are ubiquitous throughout physics. As simplified toy models they provide crucial insights for understanding more complicated strongly correlated systems, while in their own right are accurate descriptions of many experimental platforms. In equilibrium, their physics is well understood and have proven a testing ground for many powerful theoretical tools, both numerical and analytical, in use today. Their nonequilibrium physics is much less studied and understood. However, the recent advancements in nonequilibrium integrable quantum systems through the development of generalized hydrodynamics (GHD) coupled with the fact that many archetypal QIMs are in fact integrable presents an enticing opportunity to enhance our understanding of these systems. We take a step towards this by expanding the framework of GHD to incorporate integrable interacting QIMs. We present a set of Bethe-Boltzmann type equations which incorporate the effects of impurity scattering and discuss the new aspects which include entropy production. These impurity GHD equations are then used to study a bipartioning quench wherein a relevant backscattering impurity is included at the location of the bipartition. The density and current profiles are studied as a function of the impurity strength and expressions for the entanglement entropy and full counting statistics are derived.