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arXiv:cond-mat/0406594 · Journal of the Physical Society of Japan

Conductance through Quantum Dots Studied by Finite Temperature DMRG

Isao Maruyama, Naokazu Shibata, Kazuo Ueda

Published Feb 15, 2004• 6 citations
arXivHTMLPDF

Abstract

With the Finite temperature Density Matrix Renormalization Group method (FT-DMRG), we depeloped a method to calculate thermo-dynamical quantities and the conductance of a quantum dot system. Conductance is written by the local density of states on the dot. The density of states is calculated with the numerical analytic continuation from the thermal Green's function which is obtained directly from the FT-DMRG. Typical Kondo behaviors in the quantum dot system are observed conveniently by comparing the conductance with the magnetic and charge susceptibilities: Coulomb oscillation peaks and the unitarity limit. We discuss advantage of this method compared with others.

DOI
10.1143/jpsj.73.434

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With the Finite temperature Density Matrix Renormalization Group method (FT-DMRG), we depeloped a method to calculate thermo-dynamical quantities and the conductance of a quantum dot system. Conductance is written by the local density of states on the dot. The density of states is calculated with the numerical analytic continuation from the thermal Green's function which is obtained directly from the FT-DMRG. Typical Kondo behaviors in the quantum dot system are observed conveniently by comparing the conductance with the magnetic and charge susceptibilities: Coulomb oscillation peaks and the unitarity limit. We discuss advantage of this method compared with others.
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We study the nonequilibrium transport properties of fully (exactly) screened Kondo quantum dots subject to a finite bias voltage or a finite temperature. First, we calculate the Fermi-liquid coefficients of the conductance for models with arbitrary spin, i.e., its leading behavior for small bias voltages or temperatures. Second, we determine the low-temperature behavior of the static susceptibility from the exactly known Bethe ansatz results for the magnetization. Third, we study the crossover from strong to weak coupling in the spin-1/2 and the spin-1 models coupled to one or two screening channels, respectively. Using a real-time renormalization group method we calculate the static and dynamical spin-spin correlation functions for the spin-1/2 model as well as the linear and differential conductance and the static susceptibility for the spin-1 model. We define various Kondo scales and discuss their relations. We assess the validity of the renormalization-group treatment by comparing with known results for the temperature dependence of the linear conductance and static susceptibility as well as the Fermi-liquid behavior at low energies.
A procedure based on the recently developed ``adaptive'' time-dependent density-matrix-renormalization-group (DMRG) technique is presented to calculate the zero temperature conductance of nanostructures, such as quantum dots (QDs) or molecular conductors, when represented by a small number of active levels. The leads are modeled using noninteracting tight-binding Hamiltonians. The ground state at time zero is calculated at zero bias. Then, a small bias is applied between the two leads, the wave function is DMRG evolved in time, and currents are measured as a function of time. Typically, the current is expected to present periodicities over long times, involving intermediate well-defined plateaus that resemble steady states. The conductance can be obtained from those steady-state-like currents. To test this approach, several cases of interacting and noninteracting systems have been studied. Our results show excellent agreement with exact results in the noninteracting case. More importantly, the technique also reproduces quantitatively well-established results for the conductance and local density of states in both the cases of one and two coupled interacting QDs. The technique also works at finite bias voltages, and it can be extended to include interactions in the leads.
We apply the adaptive time-dependent density-matrix renormalization-group method (tDMRG) to the study of transport properties of quantum-dot systems connected to metallic leads. Finite-size effects make the usual tDMRG description of the Kondo regime a numerically demanding task. We show that such effects can be attenuated by describing the leads by ``Wilson chains,'' in which the hopping matrix elements decay exponentially away from the impurity $({t}_{n}\ensuremath{\propto}{\ensuremath{\Lambda}}^{\ensuremath{-}n/2})$. For a given system size and in the linear-response regime, results for $\ensuremath{\Lambda}>1$ show several improvements over the undamped $\ensuremath{\Lambda}=1$ case: perfect conductance is obtained deeper in the strongly interacting regime and current plateaus remain well defined for longer time scales. Similar improvements were obtained in the finite-bias regime up to bias voltages of the order of the Kondo temperature. These results show that with the proposed modification, the tDMRG characterization of Kondo correlations in the transport properties can be substantially improved, while it turns out to be sufficient to work with much smaller system sizes. We discuss the numerical cost of this approach with respect to the necessary system sizes and the entanglement growth during the time evolution.