arXiv subjects

Eran Rabani

Publications and source records attributed to Eran Rabani.

At least 109 records · Page 6Linked to original sources

arXiv2012

Numerically Exact Long Time Magnetization Dynamics at the Nonequilibrium Kondo Crossover of the Anderson Impurity Model

We investigate the dynamical and steady-state spin response of the nonequilibrium Anderson model to magnetic fields, bias voltage, and temperature using a numerically exact method combining a bold-line quantum Monte Carlo technique with the memory function formalism. We obtain converged results in a range of previously inaccessible regimes, in particular the crossover to the Kondo domain. We provide detailed predictions for novel nonequilibrium phenomena, including non-monotonic temperature dependence of observables at high bias voltage and oscillatory quench dynamics at high magnetic fields.

cond-mat.str-el↗

arXiv2012

Symmetry breaking and restoration using the equation-of-motion technique for nonequilibrium quantum impurity models

The description of the dynamics of correlated electrons in quantum impurity models is typically described within the nonequilibrium Green function formalism combined with a suitable approximation. One common approach is based on the equation-of-motion technique often used to describe different regimes of the dynamic response. Here, we show that this approach may violate certain symmetry relations that must be fulfilled by the definition of the Green functions. These broken symmetries can lead to unphysical behavior. To circumvent this pathological shortcoming of the equation-of-motion approach we provide a scheme to restore basic symmetry relations. Illustrations are given for the Anderson and double Anderson impurity models.

cond-mat.str-el↗

arXiv2012

Periodic negative differential conductance in a single metallic nano-cage

We report a bi-polar multiple periodic negative differential conductance (NDC) effect on a single cage-shaped Ru nanoparticle measured using scanning tunneling spectroscopy. This phenomenon is assigned to the unique multiply-connected cage architecture providing two (or more) defined routes for charge flow through the cage. This, in turn, promotes a self- gating effect, where electron charging of one route affects charge transport along a neighboring channel, yielding a series of periodic NDC peaks. This picture is established and analyzed here by a theoretical model.

cond-mat.mes-hall↗

arXiv2012

Simulating Lattice Spin Models on Graphics Processing Units

Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often the large computational effort needed when approaching critical points. In this work, it is shown how such simulations can be accelerated with the use of NVIDIA graphics processing units (GPUs) using the CUDA programming architecture. We have developed two different algorithms for lattice spin models, the first useful for equilibrium properties near a second-order phase transition point and the second for dynamical slowing down near a glass transition. The algorithms are based on parallel MC techniques, and speedups from 70- to 150-fold over conventional single-threaded computer codes are obtained using consumer-grade hardware.

physics.comp-ph↗

arXiv2012

Analytical Continuation Approaches to Electronic Transport: The Resonant Level Model

The analytical continuation average spectrum method (ASM) and maximum entropy (MaxEnt) method are applied to the dynamic response of a noninteracting resonant level model within the framework of the Kubo formula for electric conductivity. The frequency dependent conductivity is inferred from the imaginary time current-current correlation function for a wide range of temperatures, gate voltages and spectral densities representing the leads, and compared with exact results. We find that the MaxEnt provides more accurate results compared to the ASM over the full spectral range.

cond-mat.str-el↗

arXiv2012

Metastability in pressure-induced structural transformations of CdSe/ZnS core/shell nanocrystals

The kinetics and thermodynamics of structural transformations under pressure depend strongly on particle size due to the influence of surface free energy. By suitable design of surface structure, composition, and passivation it is possible, in principle, to prepare nanocrystals in structures inaccessible to bulk materials. However, few realizations of such extreme size-dependent behavior exist. Here we show with molecular dynamics computer simulation that in a model of CdSe/ZnS core/shell nanocrystals the core high pressure structure can be made metastable under ambient conditions by tuning the thickness of the shell. In nanocrystals with thick shells, we furthermore observe a wurtzite to NiAs transformation, which does not occur in the pure bulk materials. These phenomena are linked to a fundamental change in the atomistic transformation mechanism from heterogenous nucleation at the surface to homogenous nucleation in the crystal core. Our results suggest a new route towards expanding the range of available nanoscale materials.

cond-mat.mtrl-sci↗

arXiv2012

Transferable Pair Potentials for CdS and ZnS Crystals

A set of interatomic pair potentials is developed for CdS and ZnS crystals. We show that a simple energy function, which has been used to describe the properties of CdSe [J. Chem. Phys. 116, 258 (2002)], can be parametrized to accurately describe the lattice and elastic constants, and phonon dispersion relations of bulk CdS and ZnS in the wurtzite and rocksalt crystal structures. The predicted coexistence pressure of the wurtzite and rocksalt structures, as well as the equation of state are in good agreement with experimental observations. These new pair potentials enable the study of a wide range of processes in bulk and nanocrystalline II-VI semiconductor materials.

cond-mat.mtrl-sci↗

arXiv2011

Theory and simulations of quantum glass forming liquids

A comprehensive microscopic dynamical theory is presented for the description of quantum fluids as they transform into glasses. The theory is based on a quantum extension of mode-coupling theory. Novel effects are predicted, such as reentrant behavior of dynamical relaxation times. These predictions are supported by path integral ring polymer molecular dynamics simulations. The simulations provide detailed insight into the factors that govern slow dynamics in glassy quantum fluids. Connection to other recent work on both quantum glasses as well as quantum optimization problems is presented.

cond-mat.stat-mech↗

arXiv2011

Memory Effects In Nonequilibrium Quantum Impurity Models

Memory effects play a key role in the dynamics of strongly correlated systems driven out of equilibrium. In the present study, we explore the nature of memory in the nonequilibrium Anderson impurity model. The Nakajima--Zwanzig--Mori formalism is used to derive an exact generalized quantum master equation for the reduced density matrix of the interacting quantum dot, which includes a non-Markovian memory kernel. A real-time path integral formulation is developed, in which all diagrams are stochastically sampled in order to numerically evaluate the memory kernel. We explore the effects of temperature down to the Kondo regime, as well as the role of source--drain bias voltage and band width on the memory. Typically, the memory decays on timescales significantly shorter than the dynamics of the reduced density matrix itself, yet under certain conditions it develops a smaller long tail. In addition we address the conditions required for the existence, uniqueness and stability of a steady-state.

cond-mat.str-el↗

arXiv2011

Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: The resonant level model

A semiclassical (SC) approach is developed for nonequilibrium quantum transport in molecular junctions. Following the early work of Miller and White [J. Chem. Phys. 84, 5059 (1986)], the many-electron Hamiltonian in second quantization is mapped onto a classical model that preserves the fermionic character of electrons. The resulting classical electronic Hamiltonian allows for real-time molecular dynamics simulations of the many-body problem from an uncorrelated initial state to the steady state. Comparisons with exact results generated for the resonant level model reveal that a semiclassical treatment of transport provides a quantitative description of the dynamics at all relevant timescales for a wide range of bias and gate potentials, and for different temperatures. The approach opens a door to treating nontrivial quantum transport problems that remain far from the reach of fully quantum methodologies.

cond-mat.mes-hall↗

arXiv2010

Quantum fluctuations can promote or inhibit glass formation

The very nature of glass is somewhat mysterious: while relaxation times in glasses are of sufficient magnitude that large-scale motion on the atomic level is essentially as slow as it is in the crystalline state, the structure of glass appears barely different than that of the liquid that produced it. Quantum mechanical systems ranging from electron liquids to superfluid helium appear to form glasses, but as yet no unifying framework exists connecting classical and quantum regimes of vitrification. Here we develop new insights from theory and simulation into the quantum glass transition that surprisingly reveal distinct regions where quantum fluctuations can either promote or inhibit glass formation.

cond-mat.stat-mech↗

arXiv2010

Theory of multiexciton generation in semiconductor nanocrystals

We develop a generalized framework based on a Green's function formalism to calculate the efficiency of multiexciton gen-eration in nanocrystal quantum dots. The direct/indirect absorption and coherent/incoherent impact ionization mechanisms, often used to describe multiexciton generation in nanocrystals, are reviewed and rederived from the unified theory as certain approximations. In addition, two new limits are described systematically - the weak Coulomb coupling limit and the semi-wide band limit. We show that the description of multiexciton generation in nanocrystals can be described as incoherent process and we discuss the scaling of multiexciton generation with respect to the photon energy and nanocrystal size. Illustrations are given for three prototype systems: CdSe, InAs and silicon quantum dots.

cond-mat.mes-hall↗

arXiv2010

Can impact excitation explain efficient carrier multiplication in carbon nanotube photodiodes?

We address recent experiments (Science 325, 1367 (2009)) reporting on highly efficient multiplication of electron-hole pairs in carbon nanotube photodiodes at photon energies near the carrier multiplication threshold (twice the quasi-particle band gap). This result is surprising in light of recent experimental and theoretical work on multiexciton generation in other confined materials, such as semiconducting nanocrystals. We propose a detailed mechanism based on carrier dynamics and impact excitation resulting in highly efficient multiplication of electron-hole pairs. We discuss the important time and energy scales of the problem and provide analysis of the role of temperature and the length of the diode.

cond-mat.mes-hall↗

arXiv2009

Analytic continuation average spectrum method for quantum liquids

We revisit the problem of determining the real-frequency density response in quantum fluids via analytical continuation of imaginary-time quantum Monte Carlo data. We demonstrate that the average spectrum method (ASM) is capable of revealing resolved modes in the dynamic structure factor of both ortho-deuterium and liquid para-hydrogen, in agreement with experiments and quantum mode-coupling theories, while the maximum entropy approach yields only a smooth unimodal spectrum. Outstanding issues are discussed. Our work provides the first application of the ASM method in realistic off-lattice systems.

cond-mat.other↗

arXiv2008

Distribution of carrier multiplication rates in CdSe and InAs nanocrystals

The distribution of rates of carrier multiplication (CM) following photon absorption is calculated for semiconductor nanocrystals (NCs). The NC electronic structure is described using a screened pseudopotential method known to give reliable description of NC excitons. The rates of biexciton generation are calculated using the Fermi golden rule with all relevant Coulomb matrix elements, taking into account proper selection rules. In CdSe and InAs NCs we find a broad distribution biexciton generation rates depending strongly on the exciton energy and size of the NC. The process becomes inefficient for NC exceeding 3 nm in diameter in the photon energy range of 2-3 times the band gap.

cond-mat.mtrl-sci↗

arXiv2007

Theory of resonance energy transfer involving nanocrystals: the role of high multipoles

A theory for the fluorescence resonance energy transfer (FRET) between a pair of semiconducting nanocrystal quantum dots is developed. Two types of donor-acceptor couplings for the FRET rate are described: dipole-dipole (d-d) and the dipole-quadrupole (d-q) coupling. The theory builds on a simple effective mass model which is used to relate the FRET rate to measureable quantities such as the nanocrystal size, fundamental gap, effective mass, exciton radius and dielectric constant. We discuss the relative contribution to the FRET rate of the different multipole terms, the role of strong to weak confinement limits, and the effects of nanocrystal siz-es.

cond-mat.mtrl-sci↗

arXiv2007

Negative Differential Spin Conductance by Population Switching

An examination of the properties of many-electron conduction through spin-degenerate systems can lead to situations where increasing the bias voltage applied to the system is predicted to decrease the current flowing through it, for the electrons of a particular spin. While this does not necessarily constitute negative differential conductance (NDC) per se, it is an example of negative differential conductance per spin (NDSC) which to our knowledge is discussed here for the first time. Within a many-body master equation approach which accounts for charging effects in the Coulomb Blockade regime, we show how this might occur.

cond-mat.mes-hall↗

arXiv2007

Constructing Spin Interference Devices from Nanometric Rings

The study of nanospintronic devices utilizing coherent transport through molecular scale multiply-connected geometries in the presence of moderate magnetic fields is presented. It is shown how two types of simple devices, spin filters and spin splitters (or Stern-Gerlach devices) may be constructed from molecular nanometric rings utilizing the Aharonov-Bohm effect. The current is calculated within a single electron approximation and within a many-body master equation approach where charging effects are accounted for in the Coulomb Blockade regime. We provide rules and tools to develop and analyze efficient spintronic devices based on nanometric interferometers.

cond-mat.str-el↗