We perform ab initio calculations within the Landauer formalism to study the influence of doping on the conductance of surface-passivated silicon nanowires. It is shown that impurities located in the core of the wire induce a strong resonant backscattering at the impurity bound state energies. Surface dangling bond defects have hardly any direct effect on conductance, but they strongly trap bot...

A quantum-mechanical calculation of conductance in an open quantum dot is performed in the Landauer-Büttiker formalism using a tight binding Hamiltonian with direct Coulomb interaction. The charge distribution in the dot is calculated self-consistently as function of a gate potential, for various dot-leads couplings. The interaction is active only inside the dot, but not in the leads, its stren...

We propose a method to determine the relative strength of Rashba and Dresselhaus spin-orbit interaction from transport measurements without the need of fitting parameters. To this end, we make use of the conductance anisotropy in narrow quantum wires with respect to the directions of an in-plane magnetic field, the quantum wire, and the crystal orientation. We support our proposal by numerical ...

Theory and experiment examining electron transfer through molecules bound to electrodes are increasingly focused on quantities that are conceptually far removed from current chemical understanding. This presents challenges both for the design of interesting molecules for these devices and for the interpretation of experimental data by traditional chemical mechanisms. Here, the concept of electr...

The implementation of a source to drain tunneling in ultrascaled devices using MS-EMC has traditionally led overestimated current levels the subthreshold regime. In order correct this issue and enhance capabilities type simulator, we discuss paper two alternative self-consistent solutions focusing on different parts simulation flow. first solution reformulates probability computation by modulat...

We develop a Landauer-Büttiker theory of entropy evolution in time-dependent, strongly coupled electron systems. The formalism naturally avoids the problem of the system-bath distinction by defining the entropy current in the attached leads. This current can then be used to infer changes of the entropy of the system which we refer to as the inside-outside duality. We carry out this program in a...

The effect of a ferromagnetic scanning tunneling microscope (STM) cobalt tip on the electronic, magnetic and electronic transport properties Co-phthalocyanine (CoPc)/Co(111) junction has been investigated in framework density functional theory conjunction with Landauer non-equilibrium Green function formalism. It is shown that spin moment CoPc molecule can be flipped by varying distance between...

We consider the ballistic transport of quasiparticles with exclusion statistics through a 1D wire within the Landauer-Büttiker approach. We demonstrate that quasiparticle transport coefficients (electrical and heat conductance, as well as thermopower) are determined by the same general formulae as for particles with normal statistics. By applying the developed formalism to the ballistic transpo...

In this work, we model the zero-bias conductance for the four different DNA strands that were used in conductance measurement experiment [A. K. Mahapatro, K. J. Jeong, G. U. Lee and D. B. Janes, Nanotechnology, 18, 195202 (2007)]. Our approach consists of three elements: (i) abinitio calculations of DNA, (ii) Green’s function approach for transport calculations and (iii) the use of two paramete...