Spectrum of π\pi Electrons in Graphene as an Alternant Macromolecule and Its Specific Features in Quantum Conductance

An exact description of $\pi$ electrons based on the tight-binding model of graphene as an alternant, plane macromolecule is presented. The model molecule can contain an arbitrary number of benzene rings and has armchair- and zigzag-shaped edges. This suggests an instructive alternative to the most commonly used approach, where the reference is made to the honeycomb lattice periodic in its A and B sublattices. Several advantages of the macromolecule model are demonstrated. The newly derived analytical relations detail our understanding of $\pi$ electron nature in achiral graphene ribbons and carbon tubes and classify these structures as quantum wires.Comment: 13 pages 8 figures, revised in line with referee's comment

Distillation of local purity from quantum states

Recently Horodecki et al. [Phys. Rev. Lett. 90, 100402 (2003)] introduced an important quantum information processing paradigm, in which two parties sharing many copies of the same bipartite quantum state distill local pure states, by means of local unitary operations assisted by a one-way (two-way) completely dephasing channel. Local pure states are a valuable resource from a thermodynamical point of view, since they allow thermal energy to be converted into work by local quantum heat engines. We give a simple information-theoretical characterization of the one-way distillable local purity, which turns out to be closely related to a previously known operational measure of classical correlations, the one-way distillable common randomness.Comment: 8 page

Conductance and polarization in quantum junctions

We revisit the expression for the conductance of a general nanostructure -- such as a quantum point contact -- as obtained from the linear response theory. We show that the conductance represents the strength of the Drude singularity in the conductivity $\sigma(k,k';i\omega \to 0)$. Using the equation of continuity for electric charge we obtain a formula for conductance in terms of polarization of the system. This identification can be used for direct calculation of the conductance for systems of interest even at the {\it ab-initio} level. In particular, we show that one can evaluate the conductance from calculations for a finite system without the need for special ``transport'' boundary conditions

The conditional tunneling time for reflection using the WKB wave-function

We derive an expression for the conditional time for the reflection of a wave from an arbitrary potential barrier using the WKB wavefunction in the barrier region. Our result indicates that the conditional times for transmission and reflection are equal for a symmetric barrier within the validity of the WKB approach.Comment: 4 pages RevTeX, 1 eps figure include

Kondo effect of an adsorbed cobalt phthalocyanine (CoPc) molecule: the role of quantum interference

A recent experimental study showed that, distorting a CoPc molecule adsorbed on a Au(111) surface, a Kondo effect is induced with a temperature higher than 200 K. We examine a model in which an atom with strong Coulomb repulsion (Co) is surrounded by four atoms on a square (molecule lobes), and two atoms above and below it representing the apex of the STM tip and an atom on the gold surface (all with a single, half-filled, atomic orbital). The Hamiltonian is solved exactly for the isolated cluster, and, after connecting the leads (STM tip and gold), the conductance is calculated by standard techniques. Quantum interference prevents the existence of the Kondo effect when the orbitals on the square do not interact (undistorted molecule); the Kondo resonance shows up after switching on that interaction. The weight of the Kondo resonance is controlled by the interplay of couplings to the STM tip and the gold surface, and between the molecule lobes.Comment: 5 pages, 3 figura

New mechanism for impurity-induced step bunching

Codeposition of impurities during the growth of a vicinal surface leads to an impurity concentration gradient on the terraces, which induces corresponding gradients in the mobility and the chemical potential of the adatoms. Here it is shown that the two types of gradients have opposing effects on the stability of the surface: Step bunching can be caused by impurities which either lower the adatom mobility, or increase the adatom chemical potential. In particular, impurities acting as random barriers (without affecting the adatom binding) cause step bunching, while for impurities acting as random traps the combination of the two effects reduces to a modification of the attachment boundary conditions at the steps. In this case attachment to descending steps, and thus step bunching, is favored if the impurities bind adatoms more weakly than the substrate.Comment: 7 pages, 3 figures. Substantial revisions and correction

Transport in Molecular Junctions with Different Metallic Contacts

Ab initio calculations of phenyl dithiol connected to Au, Ag, Pd, and Pt electrodes are performed using non-equilibrium Green's functions and density functional theory. For each metal, the properties of the molecular junction are considered both in equilibrium and under bias. In particular, we consider in detail charge transfer, changes in the electrostatic potential, and their subsequent effects on the IV curves through the junctions. Gold is typically used in molecular junctions because it forms strong chemical bonds with sulfur. We find however that Pt and Pd make better electrical contacts than Au. The zero-bias conductance is found to be greatest for Pt, followed by Pd, Au, and then Ag

Effect of amplification on conductance distribution of a disordered waveguide

Introduction of optical gain to a disordered system results in enhanced fluctuations [$F_{(2)}=var(\tilde{g})/^2$] of dimensionless conductance $\tilde{g}$, similar to the effect of Anderson localization in passive medium. Using numerical simulations we demonstrate that despite of such qualitative similarity, the whole distribution of conductance of amplifying random media is drastically different from that of passive system with the same value of $F_{(2)}$.Comment: 4 pages, 4 figure

Ballistic thermal conductance limited by phonon roughness scattering: A comparison of power-law and Gaussian roughness

In this work, we have investigated the influence of power-law roughness on the ballistic thermal conductance KTH for a nanosized beam adiabatically connected between two heat reservoirs. The sideways wall beam roughness is assumed to be power-law type, which is described by the roughness amplitude w, the in-plane roughness correlation length ξ and the roughness exponent 0≤H≤1. Distinct differences occur in between power-law and Gaussian wall roughness. For power-law roughness with low roughness exponents H (<0.5), the influence of phonon scattering can be rather destructive leading to significant deviations from the universal conductance value for flat beam walls. On the other hand for large roughness exponents (H>0.5) the conductance drop is significantly smaller than that of Gaussian roughness assuming similar roughness ratios w/ξ.

Quantum theory of dissipation of a harmonic oscillator coupled to a nonequilibrium bath; Wigner-Weisskopf decay and physical spectra

We extend the quantum theory of dissipation in the context of system-reservoir model, where the reservoir in question is kept in a nonequilibrium condition. Based on a systematic separation of time scales involved in the dynamics, appropriate generalizations of the fluctuation-dissipation and Einstein's relations have been pointed out. We show that the Wigner-Weisskopf decay of the system mode results in a rate constant which depending on the relaxation of nonequilibrium bath is dynamically modified. We also calculate the time-dependent spectra of a cavity mode with a suitable gain when the cavity is kept in contact with a nonequilibrium bath.Comment: Plain Latex, 28 pages, 2 PS figure