Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula

Standard first principles calculations of transport through single molecules miss exchange-correlation corrections to the Landauer formula. From Kubo response theory, both the Landauer formula and these corrections in the limit of zero bias are derived and calculations are presented.Comment: 4 pages, 3 figures, final version to appear in Phys. Rev. B, Rapid Communication

Intensity distribution of scalar waves propagating in random media

Transmission of the scalar field through the random medium, represented by the system of randomly distributed dielectric cylinders is calculated numerically. System is mapped to the problem of electronic transport in disordered two-dimensional systems. Universality of the statistical distribution of transmission parameters is analyzed in the metallic and in the localized regimes.In the metallic regime the universality of the transmission statistics in all transparent channels is observed. In the band gaps, we distinguish the disorder induced (Anderson) localization from the tunneling through the system due to the gap in the density of states. We show also that absorption causes rapid decrease of the mean conductance, but, contrary to the localized regime, the conductance is self-averaged with a Gaussian distribution

Phase Diagram for Anderson Disorder: beyond Single-Parameter Scaling

The Anderson model for independent electrons in a disordered potential is transformed analytically and exactly to a basis of random extended states leading to a variant of augmented space. In addition to the widely-accepted phase diagrams in all physical dimensions, a plethora of additional, weaker Anderson transitions are found, characterized by the long-distance behavior of states. Critical disorders are found for Anderson transitions at which the asymptotically dominant sector of augmented space changes for all states at the same disorder. At fixed disorder, critical energies are also found at which the localization properties of states are singular. Under the approximation of single-parameter scaling, this phase diagram reduces to the widely-accepted one in 1, 2 and 3 dimensions. In two dimensions, in addition to the Anderson transition at infinitesimal disorder, there is a transition between two localized states, characterized by a change in the nature of wave function decay.Comment: 51 pages including 4 figures, revised 30 November 200

Fractional quantization of ballistic conductance in 1D hole systems

We analyze the fractional quantization of the ballistic conductance associated with the light and heavy holes bands in Si, Ge and GaAs systems. It is shown that the formation of the localized hole state in the region of the quantum point contact connecting two quasi-1D hole leads modifies drastically the conductance pattern. Exchange interaction between localized and propagating holes results in the fractional quantization of the ballistic conductance different from those in electronic systems. The value of the conductance at the additional plateaux depends on the offset between the bands of the light and heavy holes, \Delta, and the sign of the exchange interaction constant. For \Delta=0 and ferromagnetic exchange interaction, we observe additional plateaux around the values 7e^{2}/4h, 3e^{2}/h and 15e^{2}/4h, while antiferromagnetic interaction plateaux are formed around e^{2}/4h, e^{2}/h and 9e^{2}/4h. For large \Delta, the single plateau is formed at e^2/h.Comment: 4 pages, 3 figure

Quantum Aspects of Semantic Analysis and Symbolic Artificial Intelligence

Modern approaches to semanic analysis if reformulated as Hilbert-space problems reveal formal structures known from quantum mechanics. Similar situation is found in distributed representations of cognitive structures developed for the purposes of neural networks. We take a closer look at similarites and differences between the above two fields and quantum information theory.Comment: version accepted in J. Phys. A (Letter to the Editor

Quantum Ballistic Evolution in Quantum Mechanics: Application to Quantum Computers

Quantum computers are important examples of processes whose evolution can be described in terms of iterations of single step operators or their adjoints. Based on this, Hamiltonian evolution of processes with associated step operators $T$ is investigated here. The main limitation of this paper is to processes which evolve quantum ballistically, i.e. motion restricted to a collection of nonintersecting or distinct paths on an arbitrary basis. The main goal of this paper is proof of a theorem which gives necessary and sufficient conditions that T must satisfy so that there exists a Hamiltonian description of quantum ballistic evolution for the process, namely, that T is a partial isometry and is orthogonality preserving and stable on some basis. Simple examples of quantum ballistic evolution for quantum Turing machines with one and with more than one type of elementary step are discussed. It is seen that for nondeterministic machines the basis set can be quite complex with much entanglement present. It is also proved that, given a step operator T for an arbitrary deterministic quantum Turing machine, it is decidable if T is stable and orthogonality preserving, and if quantum ballistic evolution is possible. The proof fails if T is a step operator for a nondeterministic machine. It is an open question if such a decision procedure exists for nondeterministic machines. This problem does not occur in classical mechanics.Comment: 37 pages Latexwith 2 postscript figures tar+gzip+uuencoded, to be published in Phys. Rev.

Metal-insulator transition in a two-dimensional electron system: the orbital effect of in-plane magnetic field

The conductance of an open quench-disordered two-dimensional (2D) electron system subject to an in-plane magnetic field is calculated within the framework of conventional Fermi liquid theory applied to actually a three-dimensional system of spinless electrons confined to a highly anisotropic (planar) near-surface potential well. Using the calculation method suggested in this paper, the magnetic field piercing a finite range of infinitely long system of carriers is treated as introducing the additional highly non-local scatterer which separates the circuit thus modelled into three parts -- the system as such and two perfect leads. The transverse quantization spectrum of the inner part of the electron waveguide thus constructed can be effectively tuned by means of the magnetic field, even though the least transverse dimension of the waveguide is small compared to the magnetic length. The initially finite (metallic) value of the conductance, which is attributed to the existence of extended modes of the transverse quantization, decreases rapidly as the magnetic field grows. This decrease is due to the mode number reduction effect produced by the magnetic field. The closing of the last current-carrying mode, which is slightly sensitive to the disorder level, is suggested as the origin of the magnetic-field-driven metal-to-insulator transition widely observed in 2D systems.Comment: 19 pages, 7 eps figures, the extension of cond-mat/040613

Wigner Function Description of the A.C.-Transport Through a Two-Dimensional Quantum Point Contact

We have calculated the admittance of a two-dimensional quantum point contact (QPC) using a novel variant of the Wigner distribution function (WDF) formalism. In the semiclassical approximation, a Boltzman-like equation is derived for the partial WDF describing both propagating and nonpropagating electron modes in an effective potential generated by the adiabatic QPC. We show that this quantum kinetic approach leads to the well-known stepwise behavior of the real part of the admittance (the conductance), and of the imaginary part of the admittance (the emittance), in agreement with the latest results, which is determined by the number of propagating electron modes. It is shown, that the emittance is sensitive to the geometry of the QPC, and can be controlled by the gate voltage. We established that the emittance has contributions corresponding to both quantum inductance and quantum capacitance. Stepwise oscillations in the quantum inductance are determined by the harmonic mean of the velocities for the propagating modes, whereas the quantum capacitance is a significant mesoscopic manifestation of the non-propagating (reflecting) modes.Comment: 23 pages (latex), 3 figure

Electron orbital valves made of multiply connected armchair carbon nanotubes with mirror-reflection symmetry: tight-binding study

Using the tight-binding method and the Landauer-B\"{u}ttiker conductance formalism, we demonstrate that a multiply connected armchair carbon nanotube with a mirror-reflection symmetry can sustain an electron current of the $\pi$-bonding orbital while suppress that of the $\pi$-antibonding orbital over a certain energy range. Accordingly, the system behaves like an electron orbital valve and may be used as a scanning tunneling microscope to probe pairing symmetry in d-wave superconductors or even orbital ordering in solids which is believed to occur in some transition-metal oxides.Comment: 4 figures, 12 page