相关论文: Effects of Contact Parameters on Transmission thro…

The renormalization method is applied to investigate the electron transmission properties of a circuit containing a benzene molecule, in which one of the carbon atoms has been modified so as to simulate displacement in position or…

The renormalization method has been previously used in conjunction with the Lippman-Schwinger equation to calculate transmission probabilities for benzene molecules, within the tight-binding approximation. Those results are extended here by…

The Huckel molecular-orbital method (with overlap S) is used to derive the S-modified version of the renormalization equations, which are then employed to introduce overlap into the para-, meta- and ortho-benzene dimers' parameters.…

The renormalization-decimation method is used to study the transmittivity of atomic wires, with one or more side branches attached at multiple sites. The rescaling process reduces all the branches, attached at an atomic site, to an…

Using benzene sandwiched between two Au leads as a model system, we investigate from first principles the change in molecular conductance caused by different atomic structures around the metal-molecule contact. Our motivation is the…

Using the tight-binding model and the generalized Green's function formalism, the effect of quantum interference on the electron transport through the benzene molecule in a semiconductor/benzene/semiconductor junction is numerically…

The effect of dephasing on electron transport through a benzene molecule is carefully examined using a phenomenological model introduced by B\"{u}ttiker. Within a tight-binding framework all the calculations are performed based on the…

The conductance through a molecular device including electron-electron and electron-phonon interactions is calculated using the Numerical Renormalization Group method. At low temperatures and weak electron-phonon coupling the properties of…

We study the impact of the valence and the geometry on the electronic structure and transport properties of different transition metal-benzene sandwich molecules bridging the tips of a Cu nanocontact. Our density-functional calculations…

Properties of the zigzag spin chains with various nearest-neighbor and next-nearest-neighbor interactions are studied by making use of the transfer-matrix renormalization group method. Thermodynamic quantities of the systems (temperature…

Sequence heterogeneity broadens the binding transition of a polymer onto a linear or planar substrate. This effect is analyzed in a real-space renormalization group scheme designed to capture the statistics of rare events. In the strongly…

The renormalization equations emerge from a Greenian-matrix solution of the discretized Schrodinger equation. A by-product of these equations is the decimation process, which enables substituted-benzenes to be mapped onto corresponding…

The transmission through a magnetic layer of correlated electrons sandwiched between non-interacting normal-metal leads is studied within model calculations. We consider the linear regime in the framework of the Meir-Wingreen formalism,…

By expressing the discrete Schrodinger equation as a second-order finite-difference equation with constant coefficients, the renormalization equations for substituted benzene dimers are derived via the c_n-coefficient elimination procedure.…

Combining density functional theory calculations for molecular electronic structure with a Green function method for electron transport, we calculate from first principles the molecular conductance of benzene connected to two Au leads…

The effect of vibrational motion on resonant charge transport through single molecule junctions is investigated. The study is based on a combination of first-principles electronic structure calculations to characterize the system and…

The effect on molecular transport due to chemical modification of the metal-molecule interface is investigated, using as an example the prototypical molecular device formed by attaching a p-disubstituted benzene molecule onto two gold…

We theoretically analyze correlation effects on the transport properties of a benzene molecule that are mediated by interactions between the motion of the nuclei and the transmitted charge. We focus on the lowest-lying molecular vibrational…

We study the distribution of transmission eigenvalues of a quantum point contact with nearby impurities. In the semi-classical case (the chemical potential lies at the conductance plateau) we find that the transmission properties of this…

The density-matrix renormalization group method is used to study the ground state of the two-chain zigzag-bond Hubbard model at quarter filling. We show that, with a proper choice of the signs of hopping integrals, the ring exchange…