Related papers: Orbital eigenchannel analysis for ab-initio quantu…
The scattering effects are studied in nanometer-scaled double-gate MOSFET, using Monte Carlo simulation. The non-equilibrium transport in the channel is analyzed with the help of the spectroscopy of the number of scatterings experienced by…
The parallel orbital-updating approach is an orbital/eigenfunction iteration based approach for solving eigenvalue problems when many eigenpairs are required. It has been proven to be efficient, for instance, in electronic structure…
We investigate the effect of quantisation of vibrational modes on a system in which the transport path is through a quantum dot mounted on a cantilever or spring such that tunnelling to and from the dot is modulated by the oscillation. We…
Electronic current in a nanometer-size rod is theoretically investigated by an eigen-channel decomposition method in nonequilibrium Green's function formalism. Physical properties, such as the local density of electrons and local current,…
We develop a real-space first-principles method based on density functional theory to investigate orbitronic phenomena in complex materials. Using the Real-Space Linear Muffin-Tin Orbital method within the Atomic Sphere Approximation…
Traditionally, the understanding of quantum transport, coherent and ballistic1, relies on the measurement of macroscopic properties such as the conductance. While powerful when coupled to statistical theories, this approach cannot provide a…
The scattering properties of quantum particles on fractal potentials at different stages of fractal growth are obtained by means of the transfer matrix method. This approach can be easily adopted for project assignments in introductory…
An ab initio based theoretical approach to describe nonequilibrium many-body effects in molecular transport is developed. We introduce a basis of localized molecular orbitals and formulate the many-body model in this basis. In particular,…
We present a theoretical study of the electronic transport through Pt nanocontacts. We show that the analysis of the tunnelling regime requires a very careful treatment of the technical details. For instance, an insufficient size of the…
Particle transport through an open, discrete 1-D channel against a mechanical or chemical bias is analyzed within a master equation approach. The channel, externally driven by time dependent site energies, allows multiple occupation due to…
For quantum transport through mesoscopic system, a quantum master equation approach is developed in terms of compact expressions for the transport current and the reduced density matrix of the system. The present work is an extension of…
We study a more complex case of Hohmann orbital transfer of a satellite by considering non-coplanar and elliptical orbits, instead of planar and circular orbits. We use as parameter the angle between the initial and transference planes that…
We present a noncommutative optimal transport framework for quantum channels acting on von Neumann algebras. Our central object is the Lipschitz cost measure, a transportation-inspired quantity that evaluates the minimal cost required to…
We consider an elliptic operator in which the second-order term is very small in one direction. In this regime, we study the behaviour of the principal eigenfunction and of the principal eigenvalue. Our first result deals with the limit of…
With a brief introduction to one-dimensional channels and conductance quantisation in mesoscopic systems, we discuss some recent experimental puzzles in these systems, which include reduction of quantised conductances and an interesting…
We report on a striking departure from the canonical step sequence of quantized conductance in a ballistic, quasi-one-dimensional metallic channel. Ideally, in such a structure, each sub-band population contributes its Landauer conductance…
We consider quantum trajectories of composite systems as generated by the stochastic unraveling of the respective Lindblad-master-equation. Their classical limit is taken to correspond to local jumps between orthogonal states. Based on…
By studying the time-dependent axial and radial growth of InSb nanowires, we map the conditions for the synthesis of single-crystalline InSb nanocrosses by molecular beam epitaxy. Low-temperature electrical measurements of InSb nanocross…
We calculate transmission eigenvalue distributions for Pt-benzene-Pt and Pt-butadiene-Pt junctions using realistic state-of-the-art many-body techniques. An effective field theory of interacting $\pi$-electrons is used to include screening…
Quantum channels describe the most general dynamics of open quantum systems. A quantum channel, as a linear map on vectorized quantum states, can be represented by a single matrix, whose spectrum is called the channel spectrum. Here we…