arXiv subjects

George Kirczenow

Publications and source records attributed to George Kirczenow.

At least 55 records · Page 3Linked to original sources

arXiv2003

Fingerprinting the Electronic Wavefunctions of Ultra-Small Conductors

By extending the Orthodox theory of Coulomb blockade to include the nano-scale effects of environmental electric fields, we show that tunneling spectra of metallic nanoislands contain information not only on the energies of the electronic levels but also on their wavefunctions near the surface of the island. This fundamental additional information is predicted to take the form of new observable phenomena that are beyond the scope of the standard Orthodox theory: the tunneling resonances are renormalized and show nearly-Gaussian fluctuations, level bending and avoided crossings.

cond-mat↗

arXiv2003

The Smallest Molecular Switch

Ab-initio total energy calculations reveal benzene-dithiolate (BDT) molecules on a gold surface, contacted by a monoatomic gold STM tip to have two classes of low energy conformations with differing symmetries. Lateral motion of the tip or excitation of the molecule cause it to change from one conformation class to the other and to switch between a strongly and a weakly conducting state. Thus, surprisingly, despite their apparent simplicity these Au/BDT/Au nanowires are shown to be electrically bi-stable switches, the smallest two-terminal molecular switches to date. Experiments with a conventional or novel self-assembled STM are proposed to test these predictions.

cond-mat.mes-hall↗

arXiv2002

Theoretical study of photon emission from molecular wires

We explore theoretically the principles that govern photon emission from single-molecule conductors carrying electric currents between metallic contacts. The molecule and contacts are represented by a generic tight-binding model. The electric current is calculated using Landauer theory and the photon emission rate is obtained using Fermi's golden rule. The bias-dependence of the electronic structure of the molecular wire is included in the theory in a simple way. Conditions under which significant photon emission should occur are identified and photon spectra are calculated. We predict the photon emission rate to be more sensitive than the electric current to coupling asymmetries between the molecule and contacts. This has important implications for the design and interpretation of STM experiments searching for electroluminescence from individual molecules. We discuss how electroluminescence may be used to measure important characteristics of the electronic structure of molecular wires such as the HOMO-LUMO gap and location of the Fermi level of the contacts relative to the HOMO and LUMO. The feasibility of observing photon emission from Au/benzene-dithiolate molecular wires is also discussed.

cond-mat↗

arXiv2002

Explanation of the tunneling phenomena between the edges of two lateral quantum Hall systems

We identify the physics behind the results of recent measurements [W. Kang et al., Nature 403, 59 (2000)] of electron transfer between the edges of two two-dimensional electron systems (2DES). We find that a consistent explanation of all of the observed phenomena is possible if the barrier between the 2DES is surrounded by a strong potential well that supports quantum railroads of edge channels that, in the presence of disorder, exhibit directed localization.

cond-mat.mes-hall↗

arXiv2002

Quantum railroads and directed localization at the juncture of quantum Hall systems

The integer quantum Hall effect (QHE) and one-dimensional Anderson localization (AL) are limiting special cases of a more general phenomenon, directed localization (DL), predicted to occur in disordered one-dimensional wave guides called "quantum railroads" (QRR). Here we explain the surprising results of recent measurements by Kang et al. [Nature 403, 59 (2000)] of electron transfer between edges of two-dimensional electron systems and identify experimental evidence of QRR's in the general, but until now entirely theoretical, DL regime that unifies the QHE and AL. We propose direct experimental tests of our theory.

cond-mat.mes-hall↗

arXiv2002

Molecular Spintronics: Spin-Dependent Electron Transport in Molecular Wires

We present a theoretical study of spin-dependent transport through molecular wires bridging ferromagnetic metal nanocontacts. We extend to magnetic systems a recently proposed model that provides a em quantitative explanation of the conductance measurements of Reed et al. on Au break-junctions bridged by self-assembled molecular monolayers (SAMs) of 1,4-benzene-dithiolate (BDT) molecules. Based on our calculations, we predict that spin-valve behavior should be observable in nickel break-junctions bridged by SAM's formed from BDT. We also consider spin transport in systems consisting of a clean ferromagnetic nickel STM tip and SAMs of benzene-thiol molecules on gold and nickel substrates. We find that spin-valve behavior should be possible for the Ni substrate. For the case where the substrate is gold, we show that it should be possible to inject a highly spin-polarized current into the substrate.

cond-mat.mes-hall↗

arXiv2002

Charge fluctuations and the tunneling spectra of non-magnetic metallic nanoparticles

We present microscopic transport calculations of the tunneling spectra of non-magnetic metal nanoparticles. We show that charge fluctuations give rise to tunneling resonances of a new type. Positive and negative fluctuations have differing kinetics and thus account for previously unexplained spectral features that are found experimentally under only forward or only reverse applied bias. The observed clustering of tunneling resonances of Al nanoparticles arises naturally from our theory.

cond-mat.mtrl-sci↗

arXiv2002

From classical to quantum spintronics: Theory of coherent spin injection and spin valve phenomena

We present a theory of coherent quantum transport in ferromagnetic/ non-magnetic/ ferromagnetic heterojunctions. We predict quantum coherence to give rise to a quantum spin valve effect that, unlike its familiar classical analog, occurs even in the absence of a net spin current through the heterostructure. Thus the relationship between spin and charge transport is qualitatively different in the presence of quantum interference than in the (semi)classical regime. This has important implications for the design of quantum coherent spintronic devices and the interpretation of experiments.

cond-mat.mes-hall↗

arXiv2002

Electronic structure and tunneling resonance spectra of nanoscopic aluminum islands

The electronic structure of nanoscopic oxide-coated aluminum islands is investigated using a tight-binding model that incorporates the geometry, chemistry and disorder of the particle. The oxide coat is found to significantly increase the volume accessible to electrons at the Fermi level. The level statistics agree with random matrix theory predictions. States near the Fermi level show pronounced clustering regardless of disorder. It is suggested that the observed clusters of tunneling resonances may have a more complex origin than if they were solely due to many-body non-equilibrium effects.

cond-mat.mtrl-sci↗

arXiv2001

Current-Driven Conformational Changes, Charging and Negative Differential Resistance in Molecular Wires

We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to molecular wires consisting of chain molecules with different electronic and structural properties bonded to metal contacts. We show that non-linear transport in all of these systems can be understood in terms of a single physical mechanism and predict that negative differential resistance at high bias should be a generic property of such molecular wires.

cond-mat.mes-hall↗

arXiv2001

Ballistic spin-polarized transport and Rashba spin precession in semiconductor nanowires

We present numerical calculations of the ballistic spin-transport properties of quasi-one-dimensional wires in the presence of the spin-orbit (Rashba) interaction. A tight-binding analog of the Rashba Hamiltonian which models the Rashba effect is used. By varying the robustness of the Rashba coupling and the width of the wire, weak and strong coupling regimes are identified. Perfect electron spin-modulation is found for the former regime, regardless of the incident Fermi energy and mode number. In the latter however, the spin-conductance has a strong energy dependence due to a nontrivial subband intermixing induced by the strong Rashba coupling. This would imply a strong suppression of the spin-modulation at higher temperatures and source-drain voltages. The results may be of relevance for the implementation of quasi-one-dimensional spin transistor devices.

cond-mat.mes-hall↗

arXiv2000

Ideal Spin Filters: Theoretical Study of Electron Transmission Through Ordered and Disordered Interfaces Between Ferromagnetic Metals and Semiconductors

It is predicted that certain atomically ordered interfaces between some ferromagnetic metals (F) and semiconductors (S) should act as ideal spin filters that transmit electrons only from the majority spin bands or only from the minority spin bands of the F to the S at the Fermi energy, even for F with both majority and minority bands at the Fermi level. Criteria for determining which combinations of F, S and interface should be ideal spin filters are formulated. The criteria depend only on the bulk band structures of the S and F and on the translational symmetries of the S, F and interface. Several examples of systems that meet these criteria to a high degree of precision are identified. Disordered interfaces between F and S are also studied and it is found that intermixing between the S and F can result in interfaces with spin anti-filtering properties, the transmitted electrons being much less spin polarized than those in the ferromagnetic metal at the Fermi energy. A patent application based on this work has been commenced by Simon Fraser University.

cond-mat.mtrl-sci↗

arXiv2000

Multi-terminal Molecular Wire Systems: A Self-consistent Theory and Computer Simulations of Charging and Transport

We present a self-consistent method for the evaluation of the electronic current flowing through a multi-terminal molecular wire. The method is based on Buttiker- Landauer theory which relates the current to one-electron scattering probabilities. The scattering problem is solved using a tight-binding form for Schroedinger's equation that incorporates a self-consistent evaluation of the electro-static potential in the region of the molecular wire. We apply the method to a three-terminal molecular wire connected to metallic leads. The molecular wire is a pi-conjugated carbon chain with thiol end groups, self-assembled on the cleaved edge of a multilayer of alternating thin metal and insulating films. The ends of the chain bond to two outer metal layers that act as source and drain, and the chain bridges a third (inner) metal layer that acts as a gate. We show that transistor action should occur in this device if on the surface of the metal gate there are absorbed atoms that acquire charge as the gate voltage is increased, thereby enhancing the interaction between the gate and molecule and creating a strong potential barrier that hinders electron flow along the molecular wire. We find that electronic solitons play an important role in the response of this system to applied voltages.

cond-mat.mes-hall↗

arXiv1999

Landauer Theory, Inelastic Scattering and Electron Transport in Molecular Wires

In this paper we address the topic of inelastic electron scattering in mesoscopic quantum transport. For systems where only elastic scattering is present, Landauer theory provides an adequate description of transport that relates the electronic current to single-particle transmission and reflection probabilities. A formalism proposed recently by Bonca and Trugman facilitates the calculation of the one-electron transmission and reflection probabilities for inelastic processes in mesoscopic conductors connected to one-dimensional ideal leads. Building on their work, we have developed a self-consistent procedure for the evaluation of the non-equilibrium electron distributions in ideal leads connecting such mesoscopic conductors to electron reservoirs at finite temperatures and voltages. We evaluate the net electronic current flowing through the mesoscopic device by utilizing these non-equilibrium distributions. Our approach is a generalization of Landauer theory that takes account of the Pauli exclusion principle for the various competing elastic and inelastic processes while satisfying the requirement of particle conservation. As an application we examine the influence of elastic and inelastic scattering on conduction through a two site molecular wire with longitudinal phonons using the Su-Schrieffer-Heeger model of electron-phonon coupling.

cond-mat.mes-hall↗

arXiv1999

Antiresonances in Molecular Wires

We present analytic and numerical studies based on Landauer theory of conductance antiresonances of molecular wires. Our analytic treatment is a solution of the Lippmann-Schwinger equation for the wire that includes the effects of the non-orthogonality of the atomic orbitals on different atoms exactly. The problem of non-orthogonality is treated by solving the transport problem in a new Hilbert space which is spanned by an orthogonal basis. An expression is derived for the energies at which antiresonances should occur for a molecular wire connected to a pair of single-channel 1D leads. From this expression we identify two distinct mechanisms that give rise to antiresonances under different circumstances. The exact treatment of non-orthogonality in the theory is found to be necessary to obtain reliable results. Our numerical simulations extend this work to multichannel leads and to molecular wires connected to 3D metallic nanocontacts. They demonstrate that our analytic results also provide a good description of these more complicated systems provided that certain well-defined conditions are met. These calculations suggest that antiresonances should be experimentally observable in the differential conductance of molecular wires of certain types.

cond-mat.mes-hall↗

arXiv1999

Electrical Conductance of Molecular Wires

Molecular wires (MW) are the fundamental building blocks for molecular electronic devices. They consist of a molecular unit connected to two continuum reservoirs of electrons (usually metallic leads). We rely on Landauer theory as the basis for studying the conductance properties of MW systems. This relates the lead to lead current to the transmission probability for an electron to scatter through the molecule. Two different methods have been developed for the study of this scattering. One is based on a solution of the Lippmann-Schwinger equation and the other solves for the {\bf t} matrix using Schroedinger's equation. We use our methodology to study two problems of current interest. The first MW system consists of 1,4 benzene-dithiolate (BDT) bonded to two gold nanocontacts. Our calculations show that the conductance is sensitive to the chemical bonding between the molecule and the leads. The second system we study highlights the interesting phenomenon of antiresonances in MW. We derive an analytic formula predicting at what energies antiresonances should occur in the transmission spectra of MW. A numerical calculation for a MW consisting of filter molecules attached to an active molecule shows the existence of an antiresonance at the energy predicted by our formula.

cond-mat.mes-hall↗

arXiv1999

Electron Standing Wave Formation in Atomic Wires

Using the Landauer formulation of transport theory and tight binding models of the electronic structure, we study electron transport through atomic wires that form 1D constrictions between pairs of metallic nano-contacts. Our results are interpreted in terms of electron standing waves formed in the atomic wires due to interference of electron waves reflected at the ends of the atomic constrictions. We explore the influence of the chemistry of the atomic wire-metal contact interfaces on these standing waves and the associated transport resonances by considering two types of atomic wires: gold wires attached to gold contacts and carbon wires attached to gold contacts. We find that the conductance of the gold wires is roughly $1 G_0 = 2 e^2/h$ for the wire lengths studied, in agreement with experiments. By contrast, for the carbon wires the conductance is found to oscillate strongly as the number of atoms in the wire varies, the odd numbered chains being more conductive than the even numbered ones, in agreement with previous theoretical work that was based on a different model of the carbon wire and metal contacts.

cond-mat.mes-hall↗

arXiv1998

State Orthogonalization by Building a Hilbert Space: A New Approach to Electronic Quantum Transport in Molecular Wires

Quantum descriptions of many complex systems are formulated most naturally in bases of states that are not mutually orthogonal. We introduce a general and powerful yet simple approach that facilitates solving such models exactly by embedding the non-orthogonal states in a new Hilbert space in which they are by definition mutually orthogonal. This novel approach is applied to electronic transport in molecular quantum wires and is used to predict conductance antiresonances of a new type that arise solely out of the non-orthogonality of the local orbitals on different sites of the wire.

cond-mat.mes-hall↗