arXiv subjects

Ralf Bulla

Publications and source records attributed to Ralf Bulla.

At least 19 recordsLinked to original sources

arXiv2020

Competition between Kondo and Kitaev Physics in Kitaev clusters coupled to a fermionic bath

Geometrically frustrated quantum impurities coupled to metallic leads have been shown to exhibit rich behavior with a quantum phase transition separating Kondo screened and local moment phases. Frustration in the quantum impurity can alternatively be introduced via Kitaev-couplings between different spins of the impurity cluster. We use the Numerical Renormalization Group (NRG) to study a range of systems where the quantum impurity comprising a Kitaev cluster is coupled to a bath of non-interacting fermions. The models exhibits a competition between Kitaev and Kondo dominated physics depending on whether the Kitaev couplings are greater or less than the Kondo temperature. We characterize the ground state properties of the system and determine the temperature dependence of the crossover scale for the emergence of fractionalized degrees of freedom in the model. We also demonstrate qualitatively as well as quantitatively that in the Kondo limit, the complex impurity can be mapped to an effective two-impurity system, where the emergent spin $1/2$ comprises of both Majorana and flux degrees of freedom. For a tetrahedral-shaped Kitaev cluster, an extra orbital degree of freedom closely related to a flux degree of freedom remains unscreened even in the presence of both Heisenberg and Kondo interactions.

cond-mat.str-el↗

arXiv2016

The classical harmonic chain: solution via Laplace transforms and continued fractions

The harmonic chain is a classical many-particle system which can be solved exactly for arbitrary number of particles (at least in simple cases, such as equal masses and spring constants). A nice feature of the harmonic chain is that the final result for the displacements of the individual particles can be easily understood -- therefore, this example fits well into a course of classical mechanics for undergraduates. Here we show how to calculate the displacements by solving equations of motion for the Laplace transforms $\mathcal{L}\left\{q_n\right\}(s)$ of the displacements $q_n(t)$. This leads to a continued fraction representation of the Laplace transforms which can be evaluated analytically. The inverse Laplace transform of $\mathcal{L}\left\{q_n\right\}(s)$ finally gives the displacements which generically have the form of Bessel functions. We also comment on the similarities between this approach and the Green function method for quantum many-particle systems.

physics.class-ph↗

arXiv2015

Validity of the local self-energy approximation: Application to coupled quantum impurities

We examine the quality of the local self-energy approximation, applied here to models of multiple quantum impurities coupled to an electronic bath. The local self-energy is obtained by solving a single-impurity Anderson model in an effective medium that is determined self-consistently, similar to the dynamical mean-field theory (DMFT) for correlated lattice systems. By comparing to exact results obtained using the numerical renormalization group, we determine situations where "impurity-DMFT" is able to capture the physics of highly inhomogeneous systems, and those cases where it fails. For two magnetic impurities separated in real-space, the onset of the dilute limit is captured, but RKKY-dominated inter-impurity singlet formation cannot be described. For parallel quantum dot devices, impurity-DMFT succeeds in capturing underscreened Kondo physics by self-consistent generation of a critical pseudogapped effective medium. However, the quantum phase transition between high- and low-spin states on tuning interdot coupling cannot be described.

cond-mat.str-el↗

arXiv2015

Critical quasiparticles in single-impurity and lattice Kondo models

Quantum criticality in systems of local moments interacting with itinerant electrons has become an important and diverse field of research. Here we review recent results which concern (a) quantum phase transitions in single-impurity Kondo and Anderson models and (b) quantum phase transitions in heavy-fermion lattice models which involve critical quasiparticles. For (a) the focus will be on impurity models with a pseudogapped host density of states and their applications, e.g., in graphene and other Dirac materials, while (b) is devoted to strong-coupling behavior near antiferromagnetic quantum phase transitions, with potential applications in a variety of heavy-fermion metals.

cond-mat.str-el↗

arXiv2014

Generalized Wilson Chain for solving multichannel quantum impurity problems

The Numerical Renormalization Group is used to solve quantum impurity problems, which describe magnetic impurities in metals, nanodevices, and correlated materials within DMFT. Here we present a simple generalization of the Wilson Chain, which improves the scaling of computational cost with the number of channels/bands, bringing new problems within reach. The method is applied to calculate the t-matrix of the three-channel Kondo model at T=0, which shows universal crossovers near non-Fermi liquid critical points. A non-integrable three-impurity problem with three bands is also studied, revealing a rich phase diagram and novel screening/overscreening mechanisms.

cond-mat.str-el↗

arXiv2013

Quantum phase transitions and thermodynamics of the power-law Kondo model

We revisit the physics of a Kondo impurity coupled to a fermionic host with a diverging power-law density of states near the Fermi level, $ρ(ω) \sim |ω|^r$, with exponent $-1<r<0$. Using the analytical understanding of several fixed points, based partially on powerful mappings between models with bath exponents $r$ and $(-r)$, combined with accurate numerical renormalization group calculations, we determine thermodynamic quantities within the stable phases, and also near the various quantum phase transitions. Antiferromagnetic Kondo coupling leads to strong screening with a negative zero-temperature impurity entropy, while ferromagnetic Kondo coupling can induce a stable fractional spin moment. We formulate the quantum field theories for all critical fixed points of the problem, which are fermionic in nature and allow for a perturbative renormalization-group treatment.

cond-mat.str-el↗

arXiv2011

Real-space renormalization group flow in quantum impurity systems: local moment formation and the Kondo screening cloud

The existence of a length-scale $ξ_K\sim 1/T_K$ (with $T_K$ the Kondo temperature) has long been predicted in quantum impurity systems. At low temperatures $T\ll T_K$, the standard interpretation is that a spin-$\tfrac{1}{2}$ impurity is screened by a surrounding `Kondo cloud' of spatial extent $ξ_K$. We argue that renormalization group (RG) flow between any two fixed points (FPs) results in a characteristic length-scale, observed in real-space as a crossover between physical behaviour typical of each FP. In the simplest example of the Anderson impurity model, three FPs arise; and we show that `free orbital', `local moment' and `strong coupling' regions of space can be identified at zero temperature. These regions are separated by two crossover length-scales $ξ_{\text{LM}}$ and $ξ_K$, with the latter diverging as the Kondo effect is destroyed on increasing temperature through $T_K$. One implication is that moment formation occurs inside the `Kondo cloud', while the screening process itself occurs on flowing to the strong coupling FP at distances $\sim ξ_K$. Generic aspects of the real-space physics are exemplified by the two-channel Kondo model, where $ξ_K$ now separates `local moment' and `overscreening' clouds.

cond-mat.str-el↗

arXiv2010

Multiple-charge transfer and trapping in DNA dimers

We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated hopping and the bond-bond interaction, which were recently calculated by Starikov [E. B. Starikov, Phil. Mag. Lett. {\bf 83}, 699 (2003)] for different DNA dimers. The electronic degrees of freedom are coupled to an ohmic or a super-ohmic bath serving as dissipative environment. We employ the numerical renormalization group method in the nuclear tunneling regime and compare the results to Marcus theory for the thermal activation regime. For realistic parameters, the rate that at least one charge is transferred from the donor to the acceptor in the subspace of two excess electrons significantly exceeds the rate in the single charge sector. Moreover, the dynamics is strongly influenced by the Coulomb matrix elements. We find sequential and pair transfer as well as a regime where both charges remain self-trapped. The transfer rate reaches its maximum when the difference of the on-site and inter-site Coulomb matrix element is equal to the reorganization energy which is the case in a GC-GC dimer. Charge transfer is completely suppressed for two excess electrons in AT-AT in an ohmic bath and replaced by damped coherent electron-pair oscillations in a super-ohmic bath. A finite bond-bond interaction $W$ alters the transfer rate: it increases as function of $W$ when the effective Coulomb repulsion exceeds the reorganization energy (inverted regime) and decreases for smaller Coulomb repulsion.

cond-mat.str-el↗

arXiv2010

Gate-controlled Kondo screening in graphene: Quantum criticality and electron-hole asymmetry

Magnetic impurities in neutral graphene provide a realization of the pseudogap Kondo model, which displays a quantum phase transition between phases with screened and unscreened impurity moment. Here, we present a detailed study of the pseudogap Kondo model with finite chemical potential mu. While carrier doping restores conventional Kondo screening at lowest energies, properties of the quantum critical fixed point turn out to influence the behavior over a large parameter range. Most importantly, the Kondo temperature T_K shows an extreme asymmetry between electron and hole doping. At criticality, depending on the sign of mu, T_K follows either the scaling prediction T_K ~ |mu| with a universal prefactor, or T_K ~ |mu|^x with x = 2.6. This asymmetry between electron and hole doping extends well outside the quantum critical regime and also implies a qualitative difference in the shape of the tunneling spectra for both signs of mu.

cond-mat.str-el↗

arXiv2010

NRG for the bosonic single-impurity Anderson model: Dynamics

The bosonic single-impurity Anderson model (B-SIAM) is studied to understand the local dynamics of an atomic quantum dot (AQD) coupled to a Bose-Einstein condensation (BEC) state, which can be implemented to probe the entanglement and the decoherence of a macroscopic condensate. Our recent approach of the numerical renormalization group (NRG) calculation for the B-SIAM revealed a zero-temperature phase diagram, where a Mott phase with local depletion of normal particles is separated from a BEC phase with enhanced density of the condensate. As an extension of the previous work, we present the calculations of the local dynamical quantities of the B-SIAM which reinforce our understanding of the physics in the Mott and the BEC phases.

cond-mat.str-el↗

arXiv2009

The mass-flow error in the Numerical Renormalization Group method and the critical behavior of the sub-ohmic spin-boson model

We discuss a particular source of error in the Numerical Renormalization Group (NRG) method for quantum impurity problems, which is related to a renormalization of impurity parameters due to the bath propagator. At any step of the NRG calculation, this renormalization is only partially taken into account, leading to systematic variation of the impurity parameters along the flow. This effect can cause qualitatively incorrect results when studying quantum critical phenomena, as it leads to an implicit variation of the phase transition's control parameter as function of the temperature and thus to an unphysical temperature dependence of the order-parameter mass. We demonstrate the mass-flow effect for bosonic impurity models with a power law bath spectrum, J(w) ~ w^s, namely the dissipative harmonic oscillator and the spin-boson model. We propose an extension of the NRG to correct the mass-flow error. Using this, we find unambiguous signatures of a Gaussian critical fixed point in the spin-boson model for s<1/2, consistent with mean-field behavior as expected from quantum-to-classical mapping.

cond-mat.stat-mech↗

arXiv2009

Quantum phase transitions in the sub-ohmic spin-boson model: Failure of the quantum-classical mapping

The effective theories for many quantum phase transitions can be mapped onto those of classical transitions. Here we show that such a mapping fails for the sub-ohmic spin-boson model which describes a two-level system coupled to a bosonic bath with power-law spectral density, J(omega) ~ omega^s. Using an epsilon expansion we prove that this model has a quantum transition controlled by an interacting fixed point at small s, and support this by numerical calculations. In contrast, the corresponding classical long-range Ising model is known to have an upper-critical dimension at s = 1/2, with mean-field transition behavior controlled by a non-interacting fixed point for 0 < s < 1/2. The failure of the quantum-classical mapping is argued to arise from the long-ranged interaction in imaginary time in the quantum model.

cond-mat.stat-mech↗

arXiv2008

The quantum phase transition in the sub-ohmic spin-boson model: Quantum Monte-Carlo study with a continuous imaginary time cluster algorithm

A continuous time cluster algorithm for two-level systems coupled to a dissipative bosonic bath is presented and applied to the sub-ohmic spin-Boson model. When the power s of the spectral function J(w) \propto w^s is smaller than 1/2, the critical exponents are found to be classical, mean-field like. Potential sources for the discrepancy with recent renormalization group predictions are traced back to the effect of a dangerously irrelevant variable.

cond-mat.stat-mech↗

arXiv2008

Numerical renormalization group calculation of near-gap peaks in spectral functions of the Anderson model with superconducting leads

We use the numerical renormalization group method (NRG) to investigate a single-impurity Anderson model with a coupling of the impurity to a superconducting host. Analysis of the energy flow shows, in contrast to previous belief, that NRG iterations can be performed up to a large number of sites, corresponding to energy differences far below the superconducting gap. This allows us to calculate the impurity spectral function very accurately for frequencies near the gap edge, and to resolve, in a certain parameter regime, sharp peaks in the spectral function close to the gap edge.

cond-mat.str-el↗

arXiv2007

Zero-Temperature Magnetic Transition in an Easy-Axis Kondo Lattice Model

We address the quantum transition of a spin-1/2 antiferromagnetic Kondo lattice model with an easy-axis anisotropy using the extended dynamical mean field theory. We derive results in real frequency using the bosonic numerical renormalization group (bNRG) method and compare them with Quantum Monte Carlo results in Matsubara frequency. The bNRG results show a logarithmic divergence in the critical local spin susceptibility, signaling a destruction of Kondo screening. The T=0 transition is consistent with being second order. The bNRG results also display some subtle features; we identify their origin and suggest means for further microscopic studies.

cond-mat.str-el↗

arXiv2007

Equilibrium and non-equilibrium dynamics of the sub-ohmic spin-boson model

Employing the non-perturbative numerical renormalization group method, we study the dynamics of the spin-boson model, which describes a two-level system coupled to a bosonic bath with spectral density J(omega) propto omega^s. We show that, in contrast to the case of ohmic damping, the delocalized phase of the sub-ohmic model cannot be characterized by a single energy scale only, due to the presence of a non-trivial quantum phase transition. In the strongly sub-ohmic regime, s<<1, weakly damped coherent oscillations on short time scales are possible even in the localized phase - this is of crucial relevance, e.g., for qubits subject to electromagnetic noise.

cond-mat.stat-mech↗

arXiv2007

The numerical renormalization group method for quantum impurity systems

In the beginning of the 1970's, Wilson developed the concept of a fully non-perturbative renormalization group transformation. Applied to the Kondo problem, this numerical renormalization group method (NRG) gave for the first time the full crossover from the high-temperature phase of a free spin to the low-temperature phase of a completely screened spin. The NRG has been later generalized to a variety of quantum impurity problems. The purpose of this review is to give a brief introduction to the NRG method including some guidelines of how to calculate physical quantities, and to survey the development of the NRG method and its various applications over the last 30 years. These applications include variants of the original Kondo problem such as the non-Fermi liquid behavior in the two-channel Kondo model, dissipative quantum systems such as the spin-boson model, and lattice systems in the framework of the dynamical mean field theory.

cond-mat.str-el↗

arXiv2006

Quantum Phase Transitions in the Bosonic Single-Impurity Anderson Model

We consider a quantum impurity model in which a bosonic impurity level is coupled to a non-interacting bosonic bath, with the bosons at the impurity site subject to a local Coulomb repulsion U. Numerical renormalization group calculations for this bosonic single-impurity Anderson model reveal a zero-temperature phase diagram where Mott phases with reduced charge fluctuations are separated from a Bose-Einstein condensed phase by lines of quantum critical points. We discuss possible realizations of this model, such as atomic quantum dots in optical lattices. Furthermore, the bosonic single-impurity Anderson model appears as an effective impurity model in a dynamical mean-field theory of the Bose-Hubbard model.

cond-mat.stat-mech↗