Bipolaronic blockade effect in quantum dots with negative charging energy

We investigate single-electron transport through quantum dots with negative charging energy induced by a polaronic energy shift. For weak dot-lead tunnel couplings, we demonstrate a bipolaronic blockade effect at low biases which suppresses the oscillating linear conductance, while the conductance resonances under large biases are enhanced. Novel conductance plateau develops when the coupling asymmetry is introduced, with its height and width tuned by the coupling strength and external magnetic field. It is further shown that the amplitude ratio of magnetic-split conductance peaks changes from 3 to 1for increasing coupling asymmetry. Though we demonstrate all these transport phenomena in the low-order single-electron tunneling regime, they are already strikingly different from the usual Coulomb blockade physics and are easy to observe experimentally.Comment: 6 pages, 5 figure

Switching and Rectification of a Single Light-sensitive Diarylethene Molecule Sandwiched between Graphene Nanoribbons

The 'open' and 'closed' isomers of the diarylethene molecule that can be converted between each other upon photo-excitation are found to have drastically different current-voltage characteristics when sandwiched between two graphene nanoribbons (GNRs). More importantly, when one GNR is metallic and another one is semiconducting, strong rectification behavior of the 'closed' diarylethene isomer with the rectification ratio >10^3 is observed. The surprisingly high rectification ratio originates from the band gap of GNR and the bias-dependent variation of the lowest unoccupied molecular orbital (LUMO) of the diarylethene molecule, the combination of which completely shuts off the current at positive biases. Results presented in this paper may form the basis for a new class of molecular electronic devices.Comment: The Journal of Chemical Physics 135 (2011

High-order symbolic strong-coupling expansion for the Bose-Hubbard model

Combining the process-chain method with a symbolized evaluation we work out in detail a high-order symbolic strong-coupling expansion (HSSCE) for determining the quantum phase boundaries between the Mott insulator and the superfluid phase of the Bose-Hubbard model for different fillings in hypercubic lattices of different dimensions. With a subsequent Pad{\'e} approximation we achieve for the quantum phase boundaries a high accuracy, which is comparable to high-precision quantum Monte-Carlo simulations, and show that all the Mott lobes can be rescaled to a single one. As a further cross-check, we find that the HSSCE results coincide with a hopping expansion of the quantum phase boundaries, which follow from the effective potential Landau theory (EPLT).Comment: 15 pages, 11 figures. For the latest version and more information see https://www.physik.uni-kl.de/eggert/papers/index.htm

Disorder effect of resonant spin Hall effect in a tilted magnetic field

We study the disorder effect of resonant spin Hall effect in a two-dimension electron system with Rashba coupling in the presence of a tilted magnetic field. The competition between the Rashba coupling and the Zeeman coupling leads to the energy crossing of the Landau levels, which gives rise to the resonant spin Hall effect. Utilizing the Streda's formula within the self-consistent Born approximation, we find that the impurity scattering broadens the energy levels, and the resonant spin Hall conductance exhibits a double peak around the resonant point, which is recovered in an applied titled magnetic field.Comment: 6 pages, 4 figure

Kondo Spin Screening Cloud in Two-dimensional Electron Gas with Spin-orbit Couplings

A spin-1/2 Anderson impurity in a semiconductor quantum well with Rashba and Dresselhaus spin-orbit couplings is studied by using a variational wave function method. The local magnetic moment is found to be quenched at low temperatures. The spin-spin correlations of the impurity and the conduction electron density show anisotropy in both spatial and spin spaces, which interpolates the Kondo spin screenings of a conventional metal and of a surface of three-dimensional topological insulators.Comment: accepted by the Journal of Physics: Condensed Matte

Correlation effects in the electronic structure of the Ni-based superconducting KNi2S2

The LDA plus Gutzwiller variational method is used to investigate the groundstate physical properties of the newly discovered superconducting KNi2S2. Five Ni-3d Wannier-orbital basis are constructed by the density-functional theory, to combine with local Coulomb interaction to describe the normal state electronic structure of Ni-based superconductor. The band structure and the mass enhanced are studied based on a multiorbital Hubbard model by using Gutzwiller approximation method. Our results indicate that the correlation effects lead to the mass enhancement of KNi2S2. Different from the band structure calculated from the LDA results, there are three energy bands across the Fermi level along the X-Z line due to the existence of the correlation effects, which induces a very complicated Fermi surface along the X-Z line. We have also investigated the variation of the quasi-particle weight factor with the hole or electron doping and found that the mass enhancement character has been maintained with the doping.Comment: 12 pages, 6 figure

GC-Profile: a web-based tool for visualizing and analyzing the variation of GC content in genomic sequences

In order to understand the evolution, structure and function of genomes, it is important to know the general compositional features of DNA sequences. Based on the quadratic divergence, a new segmentation algorithm to partition a given genome or DNA sequence into compositionally distinct domains has been put forward. With the aid of the technique of cumulative GC profile, the distribution of segmentation points can be displayed intuitively. We have therefore developed them into GC-Profile, an interactive web-based software system, which can be used to segment prokaryotic and eukaryotic genomes. GC-Profile provides a quantitative and qualitative view of genome organization. Based on the obtained results, the relationships between the G+C content and other genomic features, such as distributions of genes and CpG islands, can be analyzed in a perceivable manner. It shows that GC-Profile would be an appropriate starting point for analyzing the isochore structure of higher eukaryotic genomes, and an intuitive tool for identifying genomic islands in prokaryotic genomes. GC-Profile is freely available at the website . In addition, precompiled binaries, together with examples and documentation, can also be freely downloaded for a local execution

Dielectric properties and lattice dynamics of alpha-PbO2-type TiO2: The role of soft phonon modes in pressure-induced phase transition to baddeleyite-type TiO2

Dielectric tensor and lattice dynamics of alpha-PbO2-type TiO2 have been investigated using the density functional perturbation theory, with a focus on responses of the vibrational frequencies to pressure. The calculated Raman spectra under different pressures are in good agreement with available experimental results and the symmetry assignments of the Raman peaks of alpha-PbO2-type TiO2 are given for the first time. In addition, we identified two anomalously IR-active soft phonon modes, B1u and B3u, respectively, around 200 cm-1 which have not been observed in high pressure experiments. Comparison of the phonon dispersions at 0 and 10 GPa reveals that softening of phonon modes also occurs for the zone-boundary modes. The B1u and B3u modes play an important role in transformation from the alpha-PbO2-type phase to baddeleyite phase. The significant relaxations of the oxygen atoms from the Ti4 plane in the Ti2O2Ti2 complex of the baddeleyite phase are directly correlated to the oxygen displacements along the directions given by the eigenvectors of the soft B1u and B3u modes in the alpha-PbO2-type phase.Comment: 8 pages, 9 figure

Graphene-based spintronic components

A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of graphene nanoribbons, that nearly +-100% spin-polarized current can be generated in zigzag graphene nanoribbons (ZGNRs) and tuned by a source-drain voltage in the bipolar spin diode, in addition to magnetic configurations of the electrodes. This unusual transport property is attributed to the intrinsic transmission selection rule of the spin subbands near the Fermi level in ZGNRs. The simultaneous control of spin current by the bias voltage and the magnetic configurations of the electrodes provides an opportunity to implement a whole range of spintronics devices. We propose theoretical designs for a complete set of basic spintronic devices, including bipolar spin diode, transistor and logic gates, based on ZGNRs.Comment: 14 pages, 4 figure