arXiv subjects

Martin Žonda

Publications and source records attributed to Martin Žonda.

At least 19 recordsLinked to original sources

arXiv2026

Correlated States in Quantum Dot Clusters Coupled to a Common Superconductor

We study an effective model of regular quantum dot clusters coupled to a common superconductor. By applying a canonical transformation, we map the system onto a particle-number-conserving representation, making it directly accessible to standard fermionic neural-network quantum-state variational Monte Carlo methods. We show that the superconducting gap closes at a particular high-symmetry point, which, in finite non-interacting systems, corresponds to crossings between singlet ground states of different character. Combining exact methods, density matrix renormalization group, and neural quantum-state variational Monte Carlo calculations, we identify three distinct interacting regimes: a trivial superconducting singlet phase, a strongly correlated regime connected to an effective Heisenberg model, and a critical intermediate regime with qualitatively different behavior in one and two dimensions. In one-dimensional systems, the intermediate regime exhibits a sequence of singlet-doublet transitions and becomes gapless in the thermodynamic limit even for finite Coulomb interaction. In two-dimensional clusters, we find robust triplet ground states. Furthermore, our results demonstrate that relatively standard fermionic neural quantum states provide an efficient approach for correlated superconducting nanostructures.

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arXiv2025

Scalable Effective Models for Superconducting Nanostructures: Applications to Double, Triple, and Quadruple Quantum Dots

We introduce a versatile and scalable framework for constructing effective models of superconducting (SC) nanostructures described by the generalized SC Anderson impurity model with multiple quantum dots and leads. Our Chain Expansion (ChE) method maps each SC lead onto a finite tight-binding chain with parameters obtained from \emph{Padé} approximants of the tunneling self-energy. We provide an explicit algorithm for the general case as well as simple analytical expressions for the chain parameters in the wide-band and infinite-chain limits. This mapping preserves low-energy physics while enabling efficient simulations: short chains are tractable using exact diagonalization, and longer ones are handled with density matrix renormalization group methods. The approach remains reliable and computationally efficient across diverse geometries, both in and out of equilibrium. We use ChE to map the ground-state phase diagrams of double, triple, and quadruple quantum dots coupled to a single SC lead. While half-filled symmetric systems show similar overall diagrams, the particular phases differ substantially with the dot number. Here, large parameter regions are entirely missed by the widely used zero-bandwidth approximation but are captured by ChE. Away from half-filling, additional dots markedly increase diagram complexity, producing a rich variety of stable phases. These results demonstrate ChE as a fast, accurate, and systematically improvable tool for exploring complex SC nanostructures.

cond-mat.mes-hall↗

arXiv2025

Negative differential conductance in triangular molecular assemblies

We report the creation and characterization of a molecular-scale negative differential conductance (NDC) device by assembling a triangular trimer of 4,5,9,10-tetrabromo-1,3,6,8-tetraazapyrene (TBTAP) molecules on a superconducting Pb(111) substrate. Using low-temperature scanning tunneling spectroscopy, we observe robust NDC behavior manifesting as a decrease in current with increasing voltage between 0.7-0.9 V arising from the interplay of Coulomb blockade and strong inter-molecular capacitive coupling within the molecular cluster. Gate-controlled charging and discharging processes are directly visualized via two-dimensional differential conductance mapping, which reveals the emergence of Coulomb rings and spatial regions of NDC. Theoretical modeling using a three-impurity Anderson model and master equation approach quantitatively reproduces the experimental observations and demonstrates that the NDC emerges purely from electron correlations, independent of the underlying superconductivity. By tuning the geometry to a hexamer structure, we further show that cluster topology provides versatile control over electronic properties at the molecular scale. These results establish a functional platform for implementing multifunctional molecular devices and highlight a strategy toward programmable and scalable nanoelectronics.

cond-mat.mes-hall↗

arXiv2025

Unsupervised Machine Learning Phase Classification for Falicov-Kimball Model

We apply various unsupervised machine learning methods for phase classification to investigate the finite-temperature phase diagram of the spinless Falicov-Kimball model in two dimensions. Using only particle occupation snapshots from Monte Carlo simulations as input, each technique, including a straightforward classification based on principal component analysis (PCA), successfully identifies the phase boundary between ordered and disordered phases, independent of the type of phase transition. Remarkably, these techniques also distinguish between the weakly localized and Anderson-localized regimes within the disordered phase, accurately identifying their crossover, which is a challenging task for standard methods. Among the machine learning approaches used, PCA based analysis outperforms more complex methods, such as neural network predictors and autoencoders. These results underscore the effectiveness of simple unsupervised techniques in examining phase transitions and electron localization in complex correlated systems.

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arXiv2024

Fractional positional jumps in stochastic systems with tilted periodic double-well potentials

We present a theoretical investigation of the stochastic dynamics of a damped particle in a tilted periodic potential with a double well per period. By applying the matrix continued fraction technique to the Fokker-Planck equation in conjunction with the full counting statistics and master equation approaches, we determine the rates of specific processes contributing to the system's overall dynamics. At low temperatures, the system can exhibit one running state and two distinct locked metastable states. We focus primarily on two aspects: the dynamics of positional jumps, which are rare thermally induced particle jumps over potential maxima, and their impact on the overall velocity noise; and the retrapping process, involving the transition from the running to the locked metastable states. We demonstrate the existence of fractional (in units of $2π$) positional slips that differ qualitatively from conventional $2π$ jumps observed in single-well systems. Fractional positional slips significantly influence the system dynamics even in regimes dominated by dichotomous-like switching between running and locked states. Furthermore, we introduce a simple master equation approach that proves effective in analyzing various stages of the retrapping process. Interestingly, our analysis shows that even for a system featuring a well-developed double-well periodic potential, there exists a broad parameter range where the stochastic dynamics can be accurately described by an effective single-well periodic model. The techniques introduced here allow for valuable insights into the complex behavior of the system, offering avenues for understanding and controlling its steady-state and transient dynamics, which go beyond or can be complementary to direct stochastic simulations.

cond-mat.stat-mech↗

arXiv2024

Nanoscale Control of Quantum States in Radical Molecules on Superconducting Pb(111)

Magnetic impurities on superconductors present a viable platform for building advanced applications in quantum technologies. However, a controlled manipulation of their quantum states continues to pose a significant challenge, hindering the progress in the field. Here we show the manipulation of magnetic states in the radical molecule 4,5,9,10-tetrabromo-1,3,6,8-tetraazapyrene (TBTAP) on a Pb(111) superconducting surface using low-temperature scanning tunneling microscopy. Tunneling spectra reveal Yu-Shiba-Rusinov (YSR) states near the Fermi energy in isolated molecules. A quantum phase transition from singlet to doublet ground state is induced by changing the tip-molecule distance. Additionally, the presence of a second TBTAP molecule allows tuning of the YSR state position by altering the relative distance and can induce splitting of the YSR states for certain orientations. The construction of molecular chains up to pentamers shows periodic arrangements of charged and neutral molecules, with even-numbered chains forming a charged dimer structure at one end. Information can be encoded in these chains by switching the dimer position. These findings elucidate interactions between molecular assemblies and superconducting substrates, paving the way for advanced quantum-state engineering.

cond-mat.mes-hall↗

arXiv2024

Dynamics of spin relaxation in nonequilibrium magnetic nanojunctions

We investigate nonequilibrium phenomena in magnetic nano-junctions using a numerical approach that combines classical spin dynamics with the hierarchical equations of motion technique for quantum dynamics of conduction electrons. Our focus lies on the spin dynamics, where we observe non-monotonic behavior in the spin relaxation rates as a function of the coupling strength between the localized spin and conduction electrons. Notably, we identify a distinct maximum at intermediate coupling strength, which we attribute to a competition that involves the increasing influence of the coupling between the classical spin and electrons, as well as the influence of decreasing local density of states at the Fermi level. Furthermore, we demonstrate that the spin dynamics of a large open system can be accurately simulated by a short chain coupled to semi-infinite metallic leads. In the case of a magnetic junction subjected to an external DC voltage, we observe resonant features in the spin relaxation, reflecting the electronic spectrum of the system. The precession of classical spin gives rise to additional side energies in the electronic spectrum, which in turn leads to a broadened range of enhanced damping in the voltage.

cond-mat.mes-hall↗

arXiv2024

Neural Network Quantum States analysis of the Shastry-Sutherland model

We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be used to approximate the ground state of this model in its different phases and regimes. We first compare several types of NQSs with each other on small lattices and benchmark their variational energies against the exact diagonalization results. We argue that when precision, generality, and computational costs are taken into account, a good choice for addressing larger systems is a shallow restricted Boltzmann machine NQS. We then show that such NQS can describe the main phases of the model in zero magnetic field. Moreover, NQS based on a restricted Boltzmann machine correctly describes the intriguing plateaus forming in magnetization of the model as a function of increasing magnetic field.

cond-mat.dis-nn↗

arXiv2023

Hidden symmetry in interacting-quantum-dot-based multi-terminal Josephson junctions

We study a multi-terminal Josephson junction based on an interacting quantum dot coupled to $n$ superconducting BCS leads. Using an Anderson type model of a local level with an arbitrary onsite Coulomb repulsion, we uncover its surprising equivalence with an effective two-terminal junction with symmetric couplings to appropriately phase-biased leads. Regardless of the strength of the Coulomb interaction, this hidden symmetry enables us to apply well-established numerical and theoretical tools for exact evaluation of various physical quantities, and imposes strict relations among them. Focusing on three-terminal devices, we then demonstrate several phenomena such as the existence of the finite energy band crossings, superconducting transistor and diode effects, as well as current phase relation modulation.

cond-mat.mes-hall↗

arXiv2023

Effective low-energy models for superconducting impurity systems

We present two complementary methods to calculate the Andreev bound state energies of a single-level quantum dot connected to superconducting leads described by the superconducting impurity Anderson model. The first method, which is based on a mapping to a low-energy model, can be utilized to extract the Andreev bound state energies from finite-temperature, imaginary-time quantum Monte Carlo data without the necessity of any analytic continuation technique. The second method maps the full model on an exactly solvable superconducting atomic limit with renormalized parameters. As such, it represents a fast and reliable method for a quick scan of the parameter space. We demonstrate that after adding a simple band correction this method can provide predictions for measurable quantities, including the Josephson current, that are in a solid quantitative agreement with precise results obtained by the numerical renormalization group and quantum Monte Carlo.

cond-mat.mes-hall↗

arXiv2023

Generalized atomic limit of a double quantum dot coupled to superconducting leads

We present an exactly solvable effective model of a double quantum dot coupled to superconducting leads. This model is a generalization of the well-known superconducting atomic limit approximation of the paradigmatic superconducting impurity Anderson model. However, in contrast to the standard atomic limit and other effective models, it gives quantitatively correct predictions for the quantum phase transition boundaries, subgap bound states as well as Josephson supercurrent in a broad range of parameters including experimentally relevant regimes. The model allows fast and reliable parameter scans important for the preparation and analysis of experiments which are otherwise inaccessible by more precise but computational heavy methods such as quantum Monte Carlo or the numerical renormalization group. The scans also allowed us to identify and investigate new previously unnoticed phase diagram regimes. We provide a thorough analysis of the strengths and limitations of the effective model and benchmark its predictions against numerical renormalization group results.

cond-mat.mes-hall↗

arXiv2022

Nonequilibrium dynamics in a spin valve with noncollinear magnetization

We utilize a hybrid quantum-classical equation of motion approach to investigate the spin dynamics and spin-transfer torque in a spin valve under bias voltage. We show that the interplay between localized classical magnetic moments and conduction electrons induces a complex effective exchange coupling between the magnetic layers. This leads to a declination of magnetizations from layers anisotropy axes even in equilibrium. Introducing a finite bias voltage triggers spin currents and related spin-transfer torques which further tilt the magnetizations and govern the relaxation processes of the spin dynamics. Analyzing different scenarios of the applied bias voltage, we show that symmetric and asymmetric voltage drops can lead to relaxation times of the spin dynamics that differ by several orders of magnitude at comparable charge currents. In both cases we observe resonant features, where the relaxation is boosted whenever the chemical potential of the leads matches the maxima in the density of the states of the spin-valve electrons.

cond-mat.mes-hall↗

arXiv2022

Phase diffusion and noise temperature of a microwave amplifier based on single unshunted Josephson junction

High-gain microwave amplifiers operating near quantum limit are crucial for development of quantum technology. However, a systematic theoretical modeling and simulations of their performance represent rather challenging tasks due to the occurrence of colored noises and nonlinearities in the underlying circuits. Here, we develop a response theory for such an amplifier whose circuit dynamics is based on nonlinear oscillations of an unshunted Josephson junction. The theory accounts for a subtle interplay between exponentially damped fluctuations around the stable limit cycle and the nonlinear dynamics of the limit cycle phase. The amplifier gain and noise spectrum are derived assuming a colored voltage noise at the circuit resistor. The derived expressions are generally applicable to any system whose limit cycle dynamics is perturbed by a colored noise and a harmonic signal. We also critically assess reliabilities of numerical methods of simulations of the corresponding nonlinear Langevin equations, where even reliable discretization schemes might introduce errors significantly affecting simulated characteristics at the peak performance.

cond-mat.stat-mech↗

arXiv2021

Unified theory of quantum phase transitions in quantum dots with gapped host bands

We present a unified theory of quantum phase transitions for half-filled quantum dots (QDs) coupled to gapped host bands. We augment the bands by additional weakly coupled metallic lead which allows us to analyze the system by using standard numerical renormalization group techniques. The ground state properties of the systems without the additional metallic lead are then extrapolated in a controlled way from the broadened subgap spectral functions. We show that a broad class of narrow-gap-semiconductor tunneling densities of states (TDOSs) support the existence of two distinct phases known from their superconducting counterpart. Namely, $0$ phase which is marked by the singlet ground state and the $π$ phase regime with the doublet ground state. To keep a close analogy with the superconducting case, we focus on the influence of particle-hole asymmetry of the TDOS of the subgap spectral features. Nevertheless, we also discus the possibility of inducing singlet-doublet quantum phase transitions in experimental setups by varying the filling of the QD. In addition, for gapped TDOS functions with smoothed gap edges, we demonstrate that all subgap peaks may leak out of the gap into the continuous part of the spectrum, an effect which has no counterpart in the superconducting Anderson model.

cond-mat.mes-hall↗

arXiv2021

Resolving Ambiguity of the Kondo Temperature Determination in Mechanically Tunable Single-Molecule Kondo Systems

Determination of the molecular Kondo temperature $T_K$ poses a challenge in most cases when the experimental temperature cannot be tuned to a sufficient extent. We show how this ambiguity can be resolved if additional control parameters are present, such as magnetic field and mechanical gating. We record the evolution of the differential conductance by lifting an individual molecule from the metal surface with the tip of a scanning tunneling microscope. By fitting the measured conductance spectra with the single impurity Anderson model we are able to demonstrate that the lifting tunes the junction continuously from the strongly correlated Kondo-singlet to the free spin $1/2$ ground state. In the crossover regime, where $T_K$ is similar to the temperature of experiment, the fitting yields ambiguous estimates of $T_K$ varying by an order of magnitude. We show that analysis of the conductance measured in two distinct external magnetic fields can be used to resolve this problem.

cond-mat.mes-hall↗

arXiv2020

Interpretable and unsupervised phase classification

Fully automated classification methods that yield direct physical insights into phase diagrams are of current interest. Here, we demonstrate an unsupervised machine learning method for phase classification which is rendered interpretable via an analytical derivation of its optimal predictions and allows for an automated construction scheme for order parameters. Based on these findings, we propose and apply an alternative, physically-motivated, data-driven scheme which relies on the difference between mean input features. This mean-based method is computationally cheap and directly interpretable. As an example, we consider the physically rich ground-state phase diagram of the spinless Falicov-Kimball model.

cond-mat.dis-nn↗

arXiv2020

Practical Guide to Quantum Phase Transitions in Quantum-Dot-Based Tunable Josephson Junctions

Quantum dots attached to BCS superconducting leads exhibit a $0-π$ impurity quantum phase transition, which can be experimentally controlled either by the gate voltage or by the superconducting phase difference. For the pertinent superconducting single-impurity Anderson model, we newly present two simple analytical formulae describing the position of the phase boundary in parameter space for the weakly correlated and Kondo regime, respectively. Furthermore, we show that the two-level approximation provides an excellent description of the low temperature physics of superconducting quantum dots near the phase transition. We discuss reliability and mutual agreement of available finite temperature numerical methods (Numerical Renormalization Group and Quantum Monte Carlo) and suggest a novel approach for efficient determination of the quantum phase boundary from measured finite temperature data. Our results enable fast and efficient, yet reliable characterization and design of such nanoscopic tunable Josephson junction devices.

cond-mat.mes-hall↗

arXiv2020

Electronic transport through correlated electron systems with nonhomogeneous charge orderings

The spinless Falicov-Kimball model exhibits outside the particle-hole symmetric point different stable nonhomogeneous charge orderings. These include the well known charge stripes and a variety of orderings with phase separated domains, which can significantly influence the charge transport through the correlated electron system. We show this by investigating a heterostructure, in which the Falicov-Kimball model on a finite two-dimensional lattice is located between two noninteracting semi-infinite leads. We use a combination of nonequilibrium Green's functions techniques with a sign-problem-free Monte Carlo method for finite temperatures or a simulated annealing technique for the ground state to address steady-state transport through the system. We show that different ground-state phases of the central system can lead to simple metallic-like or insulating charge transport characteristics, but also to more complicated current-voltage dependencies reflecting a multi-band character of the transmission function. Interestingly, with increasing temperature, the orderings tend to form transient phases before the system reaches the disordered phase. This leads to nontrivial temperature dependencies of the transmission function and charge current.

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