arXiv subjects

Michael Potthoff

Publications and source records attributed to Michael Potthoff.

At least 37 records · Page 2Linked to original sources

arXiv2019

Phase diagram of the Kondo model on the zigzag ladder

The effect of next-nearest-neighbor hopping $t_{2}$ on the ground-state phase diagram of the one-dimensional Kondo lattice is studied with density-matrix renormalization-group techniques and by comparing with the phase diagram of the classical-spin variant of the same model. For a finite $t_{2}$, i.e., for a zigzag-ladder geometry, indirect antiferromagnetic interactions between the localized spins are geometrically frustrated. We demonstrate that $t_{2}$ at the same time triggers several magnetic phases which are absent in the model with nearest-neighbor hopping only. For strong $J$, we find a transition from antiferromagnetic to incommensurate magnetic short-range order, which can be understood entirely in the classical-spin picture. For weaker $J$, a spin-dimerized phase emerges, which spontaneously breaks the discrete translation symmetry. The phase is not accessible to perturbative means but is explained, on a qualitative level, by the classical-spin model as well. Spin dimerization alleviates magnetic frustration and is interpreted as a key to understand the emergence of quasi-long-range spiral magnetic order which is found at weaker couplings. The phase diagram at weak $J$, with gapless quasi-long-range order on top of the two-fold degenerate spin-dimerized ground state, competing with a nondegenerate phase with gapped spin (and charge) excitations, is unconventional and eludes an effective low-energy spin-only theory.

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arXiv2018

Frustrated quantum magnetism in the Kondo lattice on the zigzag ladder

The interplay between Kondo effect, indirect magnetic interaction and geometrical frustration is studied in the Kondo lattice on the one-dimensional zigzag ladder. Using the density-matrix renormalization group (DMRG), the ground state and various short- and long-range spin- and density-correlation functions are calculated for the model at half-filling as a function of the antiferromagnetic Kondo interaction down to $J=0.3t$ where $t$ is the nearest-neighbor hopping on the zigzag ladder. Geometrical frustration is shown to lead to at least two critical points: Starting from the strong-$J$ limit, where almost local Kondo screening dominates and where the system is a nonmagnetic Kondo insulator, antiferromagnetic correlations between nearest-neighbor and next-nearest-neighbor local spins become stronger and stronger, until at $J^{\rm dim}_{\rm c} \approx 0.89t$ frustration is alleviated by a spontaneous breaking of translational symmetry and a corresponding transition to a dimerized state. This is characterized by antiferromagnetic correlations along the legs and by alternating antiferro- and ferromagnetic correlations on the rungs of the ladder. A mechanism of partial Kondo screening that has been suggested for the Kondo lattice on the two-dimensional triangular lattice is not realized in the one-dimensional case. Furthermore, within the symmetry-broken dimerized state, there is a magnetic transition to a $90^{\circ}$ quantum spin spiral with quasi-long-range order at $J^{\rm mag}_{\rm c} \approx 0.84t$. The quantum-critical point is characterized by a closure of the spin gap (with decreasing $J$) and a divergence of the spin-correlation length and of the spin-structure factor $S(q)$ at wave vector $q=π/2$. This is opposed to the model on the one-dimensional bipartite chain, which is known to have a finite spin gap for all $J>0$ at half-filling.

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arXiv2018

Non-collinear spin states in bottom-up fabricated atomic chains

Non-collinear spin states with unique rotational sense, such as chiral spin-spirals, are recently heavily investigated because of advantages for future applications in spintronics and information technology and as potential hosts for Majorana Fermions when coupled to a superconductor. Tuning the properties of such spin states, e.g., the rotational period and sense, is a highly desirable yet difficult task. Here, we experimentally demonstrate the bottom-up assembly of a spin-spiral derived from a chain of Fe atoms on a Pt substrate using the magnetic tip of a scanning tunneling microscope as a tool. We show that the spin-spiral is induced by the interplay of the Heisenberg and Dzyaloshinskii-Moriya components of the Ruderman-Kittel-Kasuya-Yosida interaction between the Fe atoms. The relative strengths and signs of these two components can be adjusted by the interatomic Fe distance, which enables tailoring of the rotational period and sense of the spin-spiral.

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arXiv2017

Anomalous spin precession under a geometrical torque

Precession and relaxation predominantly characterize the real-time dynamics of a spin driven by a magnetic field and coupled to a large Fermi sea of conduction electrons. We demonstrate an anomalous precession with frequency higher than the Larmor frequency or with inverted orientation in the limit where the electronic motion adiabatically follows the spin dynamics. For a classical spin, the effect is traced back to a geometrical torque resulting from a finite spin Berry curvature.

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arXiv2017

Enforcing conservation laws in nonequilibrium cluster perturbation theory

Using the recently introduced time-local formulation of the nonequilibrium cluster perturbation theory (CPT), we construct a generalization of the approach such that macroscopic conservation laws are respected. This is achieved by exploiting the freedom for the choice of the starting point of the all-order perturbation theory in the inter-cluster hopping. The proposed conserving CPT is a self-consistent propagation scheme which respects the conservation of energy, particle number and spin, which treats short-range correlations exactly up to the linear scale of the cluster, and which represents a mean-field-like approach on length scales beyond the cluster size. Using Green's functions, conservation laws are formulated as local continuity equations for the local spin-dependent particle and the doublon density. We consider them as conditional equations to self-consistently fix the time-dependent intra-cluster one-particle parameters. Thanks to the intrinsic causality of the CPT, this can be set up as a step-by-step time propagation scheme with a computational effort scaling linearly with the maximum propagation time and exponentially in the cluster size. As a proof of concept, we consider the dynamics of the two-dimensional, particle-hole-symmetric Hubbard model following a weak interaction quench by simply employing two-site clusters only. Conservation laws are satisfied by construction. We demonstrate that enforcing them has strong impact on the dynamics. While the doublon density is strongly oscillating within plain CPT, a monotonic relaxation is observed within the conserving CPT.

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arXiv2017

Filling-dependent doublon dynamics in the one-dimensional Hubbard model

The fate of a local two-hole doublon excitation in the one-dimensional Fermi-Hubbard model is systematically studied for strong Hubbard interaction U in the entire filling range using the density-matrix renormalization group (DMRG) and the Bethe ansatz. For strong U, two holes at the same site form a compound object whose decay is impeded by the lack of phase space. Still, a partial decay is possible on an extremely short time scale where phase-space arguments do not yet apply. We argue that the initial decay and the resulting intermediate state are relevant for experiments performed with ultracold atoms loaded into an optical lattice as well as for (time-resolved) CVV Auger-electron spectroscopy. The detailed discussion comprises the mixed ballistic-diffusive real-time propagation of the doublon through the lattice, its partial decay on the short time scale as a function of filling and interaction strength, as well as the analysis of the decay products, which are metastable on the intermediate time scale that is numerically accessible and which show up in the two-hole excitation (Auger) spectrum. The ambivalent role of singly occupied sites is key to understanding the doublon physics: For high fillings, ground-state configurations with single occupancies are recognized to strongly relax the kinematic constraints and to open up decay channels. For fillings close to half filling, however, their presence actually blocks the doublon decay. Finally, the analysis of the continua in the two-hole spectrum excludes a picture where the doublon decays into unbound electron holes for generic fillings, different from the limiting case of the completely filled band. We demonstrate that the decay products as well as the doublon propagation should rather be understood in terms of Bethe ansatz eigenstates.

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arXiv2016

Inertia effects in the real-time dynamics of a quantum spin coupled to a Fermi sea

Spin dynamics in the Kondo impurity model, initiated by suddenly switching the direction of a local magnetic field, is studied by means of the time-dependent density-matrix renormalization group. Quantum effects are identified by systematic computations for different spin quantum numbers $S$ and by comparing with tight-binding spin-dynamics theory for the classical-spin Kondo model. We demonstrate that, besides the conventional precessional motion and relaxation, the quantum-spin dynamics shows nutation, similar to a spinning top. Opposed to semiclassical theory, however, the nutation is efficiently damped on an extremely short time scale. The effect is explained in the large-$S$ limit as quantum dephasing of the eigenmodes in an emergent two-spin model that is weakly entangled with the bulk of the system. We argue that, apart from the Kondo effect, the damping of nutational motion is essentially the only characteristics of the quantum nature of the spin. Qualitative agreement between quantum and semiclassical spin dynamics is found down to $S=1/2$.

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arXiv2016

Relaxation of a classical spin coupled to a strongly correlated electron system

A classical spin which is antiferromagnetically coupled to a system of strongly correlated conduction electrons is shown to exhibit unconventional real-time dynamics which cannot be described by Gilbert damping. Depending on the strength of the local Coulomb interaction, the two main electronic dissipation channels, transport of excitations via correlated hopping and via excitations of correlation-induced magnetic moments, become active on largely different time scales. We demonstrate that this can lead to a prethermalization scenario which so far has been observed in purely electronic systems only and which is governed here by proximity to the divergent magnetic time scale in the infinite-U limit.

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arXiv2016

Time-dependent Mott transition in the periodic Anderson model with nonlocal hybridization

The time-dependent Mott transition in a periodic Anderson model with off-site, nearest-neighbor hybridization is studied within the framework of nonequilibrium self-energy functional theory. Using the two-site dynamical-impurity approximation, we compute the real-time dynamics of the optimal variational parameter and of different observables initiated by sudden quenches of the Hubbard-U and identify the critical interaction. The time-dependent transition is orbital selective, i.e., in the final state, reached in the long-time limit after the quench to the critical interaction, the Mott gap opens in the spectral function of the localized orbitals only. We discuss the dependence of the critical interaction and of the final-state effective temperature on the hybridization strength and point out the various similarities between the nonequilibrium and the equilibrium Mott transition. It is shown that these can also be smoothly connected to each other by increasing the duration of a U-ramp from a sudden quench to a quasi-static process. The physics found for the model with off-site hybridization is compared with the dynamical Mott transition in the single-orbital Hubbard model and with the dynamical crossover found for the real-time dynamics of the conventional Anderson lattice with on-site hybridization.

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arXiv2016

Nonequilibrium self-energy functional approach to the dynamical Mott transition

The real-time dynamics of the Fermi-Hubbard model, driven out of equilibrium by quenching or ramping the interaction parameter, is studied within the framework of the nonequilibrium self-energy functional theory. A dynamical impurity approximation with a single auxiliary bath site is considered as a reference system and the time-dependent hybridization is optimized as prescribed by the variational principle. The dynamical two-site approximation turns out to be useful to study the real-time dynamics on short and intermediate time scales. Depending on the strength of the interaction in the final state, two qualitatively different response regimes are observed. For both weak and strong couplings, qualitative agreement with previous results of nonequilibrium dynamical mean-field theory is found. The two regimes are sharply separated by a critical point at which the low-energy bath degree of freedom decouples in the course of time. We trace the dependence of the critical interaction of the dynamical Mott transition on the duration of the interaction ramp from sudden quenches to adiabatic dynamics, and therewith link the dynamical to the equilibrium Mott transition.

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arXiv2016

Nonequilibrium variational-cluster approach to real-time dynamics in the Fermi-Hubbard model

The nonequilibrium variational-cluster approach is applied to study the real-time dynamics of the double occupancy in the one-dimensional Fermi-Hubbard model after different fast changes of hopping parameters. A simple reference system, consisting of isolated Hubbard dimers, is used to discuss different aspects of the numerical implementation of the approach in the general framework of nonequilibrium self-energy functional theory. Opposed to a direct solution of the Euler equation, its time derivative is found to serve as numerically tractable and stable conditional equation to fix the time-dependent variational parameters.

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arXiv2016

Multiplons in the two-hole excitation spectra of the one-dimensional Hubbard model

Using the density-matrix renormalization group in combination with the Chebyshev polynomial expansion technique, we study the two-hole excitation spectrum of the one-dimensional Hubbard model in the entire filling range from the completely occupied band (n=2) down to half-filling (n=1). For strong interactions, the spectra reveal multiplon physics, i.e., relevant final states are characterized by two (doublon), three (triplon), four (quadruplon) and more holes, potentially forming stable compound objects or resonances with finite lifetime. These give rise to several satellites in the spectra with largely different spectral weights as well as to different continua. The complex multiplon phenomenology is analyzed by interpreting not only local and k-resolved two-hole spectra but also three- and four-hole spectra for the Hubbard model and by referring to effective low-energy models. In addition, a filter-operator technique is presented which allows to extract specific information on the final states at a given excitation energy. While multiplons composed of an odd number of holes do neither form stable compounds nor well-defined resonances unless a nearest-neighbor density interaction V is added to the Hamiltonian, the doublon and the quadruplon are well-defined resonances. The k-resolved four-hole spectrum at n=2 represents an interesting special case where a completely stable quadruplon turns into a resonance by merging with the doublon-doublon continuum at a critical wave vector. For all fillings with n > 1, the doublon lifetime is strongly k-dependent and is even infinite at the Brillouin zone edges as demonstrated by k-resolved two-hole spectra. This can be traced back to the "hidden" charge-SU(2) symmetry of the model which is explicitly broken off half-filling and gives rise to a massive collective excitation, even for arbitrary higher-dimensional but bipartite lattices.

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arXiv2015

Dynamical mean-field study of partial Kondo screening in the periodic Anderson model on the triangular lattice

The competition between Kondo screening and indirect magnetic exchange is studied for a system with geometrical frustration using dynamical mean-field theory (DMFT). We systematically scan the weak- to strong-coupling regime of the periodic Anderson model on the triangular lattice for a wide range of fillings n. The magnetic phase diagram is derived using a site-dependent DMFT approach by self-consistent mapping onto three independent single-impurity models corresponding to the three correlated f orbitals in the unit cell. At half-filling, the system is a non-magnetic Kondo insulator for all considered interaction strengths U>0 which immediately develops into a non-magnetic metallic Kondo-singlet phase for fillings slightly below half-filling. On the other hand, indirect magnetic exchange between the f moments results in antiferromagnetic order at lower fillings. The antiferromagnetic and the Kondo-singlet phases are separated in the U-n phase diagram by an extended region of partial Kondo screening, i.e., a phase where the magnetic moment at one site in the unit cell is Kondo screened while the remaining two are coupled antiferromagnetically. At even lower fillings the system crosses over from a local-moment to a mixed-valence regime where the minimization of the kinetic energy in a strongly correlated system gives rise to a metallic and partially polarized ferromagnetic state.

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arXiv2015

Lehmann representation of the nonequilibrium self-energy

It is shown that the non-equilibrium self-energy of an interacting lattice-fermion model has a unique Lehmann representation. Based on the construction of a suitable non-interacting effective medium, we provide an explicit and numerically practicable scheme to construct the Lehmann representation for the self-energy, given the Lehmann representation of the single-particle non-equilibrium Green's function. This is of particular importance for an efficient numerical solution of Dyson's equation in the context of approximations where the self-energy is obtained from a reference system with a small Hilbert space. As compared to conventional techniques to solve Dyson's equation on the Keldysh contour, the effective-medium approach allows to reach a maximum propagation time which can be several orders of magnitude longer. This is demonstrated explicitly by choosing the non-equilibrium cluster-perturbation theory as a simple approach to study the long-time dynamics of an inhomogeneous initial state after a quantum quench in the Hubbard model on a 10 x 10 square lattice. We demonstrate that the violation of conservation laws is moderate for weak Hubbard interaction and that the cluster approach is able to describe prethermalization physics.

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arXiv2015

Spin dynamics and relaxation in the classical-spin Kondo-impurity model beyond the Landau-Lifschitz-Gilbert equation

The real-time dynamics of a classical spin in an external magnetic field and locally exchange coupled to an extended one-dimensional system of non-interacting conduction electrons is studied numerically. Retardation effects in the coupled electron-spin dynamics are shown to be the source for the relaxation of the spin in the magnetic field. Total energy and spin is conserved in the non-adiabatic process. Approaching the new local ground state is therefore accompanied by the emission of dispersive wave packets of excitations carrying energy and spin and propagating through the lattice with Fermi velocity. While the spin dynamics in the regime of strong exchange coupling J is rather complex and governed by an emergent new time scale, the motion of the spin for weak J is regular and qualitatively well described by the Landau-Lifschitz-Gilbert (LLG) equation. Quantitatively, however, the full quantum-classical hybrid dynamics differs from the LLG approach. This is understood as a breakdown of weak-coupling perturbation theory in J in the course of time. Furthermore, it is shown that the concept of the Gilbert damping parameter is ill-defined for the case of a one-dimensional system.

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arXiv2015

Screening mechanisms in magnetic nanostructures

A theoretical concept is presented for the screening of several magnetic moments locally exchange coupled to conduction electrons in a metallic nanostructure. We consider a quantum confined multi-impurity Kondo model which exhibits the competition between finite-size effects, RKKY interactions, and Kondo physics. In the limit of weak coupling, Kondo correlations are cut by the finite system size; perturbation theory can then be used to derive the low-energy effective model, which is of generalized central-spin form. The theory successfully predicts the degeneracy, total spin, and spin correlations of the ground state, and allows the number of screening channels to be identified. This is demonstrated for a two-impurity model on a finite one-dimensional ring. Density-matrix renormalization-group calculations confirm the physical picture at weak coupling. The non-trivial crossovers to RKKY and strong-coupling regimes are also studied. The numerical renormalization group, tailored to treat finite systems, is used to examine the crossover to the thermodynamic limit.

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arXiv2015

Crossover from conventional to inverse indirect magnetic exchange in the depleted Anderson lattice

We investigate the finite-temperature properties of an Anderson lattice with regularly depleted impurities. The physics of this model is ruled by two different magnetic exchange mechanisms: conventional Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction at weak hybridization strength V and a novel inverse indirect magnetic exchange (IIME) at strong V, both favoring a ferromagnetic ground state. The stability of ferromagnetic order against thermal fluctuations is systematically studied by static mean-field theory for an effective low-energy spin-only model emerging perturbatively in the strong-coupling limit as well as by dynamical mean-field theory for the full model. The Curie temperature is found at a maximum for a half-filled conduction band and at intermediate hybridization strengths in the crossover regime between RKKY and IIME.

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arXiv2015

Band model for the understanding of ferromagnetism in semiconductors and insulators

To investigate ferromagnetic semiconductors and insulators, such as the famous EuO, EuS, or CrBr$_3$, we propose a hybridized Kondo-lattice model, where, in addition to the conduction electrons, localized moments (e.g., the $4f$-electrons) are modeled as a strongly correlated band system. The quasi-empty conduction band is weakly filled due to the hybridization term. This activates the intraatomic exchange coupling between conduction and localized electrons. Temperature-dependent phase diagrams and quasiparticle densities of states are presented for various coupling and hybridization strengths. Moreover, the influence of the one-particle energy of the localized electrons $E_f$ is discussed. A comparison with mean field calculations is given at the end of this work.

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