Related papers: A first-principles approach to electrical transpor…
The conductance of one-dimensional interacting electron systems is calculated in a manner similar to Landauer's argument for non-interacting systems. Unlike in previous studies in which the Kubo formula was used, the conductance is directly…
We present a unified transport theory of hybrid structures, in which a confined normal state ($N$) sample is sandwiched between two leads each of which can be either a ferromagnet ($F$) or a superconductor ($S$) via tunnel barriers. By…
The alpha-cluster states of $^{22}$Ne are studied within the framework of the semimicroscopic algebraic cluster model (SACM). The band structure, energy spectrum as well as E2 and E1 transitions are calculated and are compared with the…
We theoretically analyse the possibility to electrostatically confine electrons in circular quantum dot arrays, impressed on contacted graphene nanoribbons by top gates. Utilising exact numerical techniques, we compute the scattering…
An elongation method based on ab initio quantum chemistry approaches is presented. It allows to study electronic structures and coherent electron transportation properties of single-walled carbon nanotubes (SWCNTs) up to 22nm in length…
We present a fast and stable numerical technique to obtain the self-energy terms of electrodes for first-principles electron-transport calculations. Although first-principles calculations based on the real-space finite-difference method are…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…
The description of electron-electron interactions in transport problems is both analytically and numerically difficult. Here we show that a much simpler description of electron transport in the presence of interactions can be achieved in…
It has been recently shown that a nanostructure composed of a quantum dot surrounded by a quantum ring possesses a set of very unique characteristics that make it a good candidate for future nanoelectronic devices. Its main advantage is the…
Net atomic charges (NACs) are widely used in all chemical sciences to concisely summarize key information about the partitioning of electrons among atoms in materials. Although widely used, there is currently no atomic population analysis…
An efficient method for computing the Landauer-Buettiker conductance of an open quantum system within DFT+U is presented. The Hubbard potential is included in electronic structure and transport calculations as a simple renormalization of…
We present self-consistent calculations of electron transport in graphene nanoconstrictions within the Hartree approximation. We consider suspended armchair ribbons with V-shaped constrictions having perfect armchair or zigzag edges as well…
Recent experiments have probed quantum dots through transport measurements in the regime where they are described by a two lead Anderson model. In this paper we develop a new method to analytically compute for the first time the…
We develop a new approach to electron transport in mesoscopic systems by using a particular single-particle basis. Although this basis generates redundant many-particle amplitudes, it greatly simplifies the treatment. By using our method…
We compare the Landauer, Kubo, and microcanonical [J. Phys. Cond. Matter {\bf 16}, 8025 (2004)] approaches to quantum transport for the average current, the entanglement entropy and the semiclassical full-counting statistics (FCS). Our…
To develop next-generation electronics and high efficiency energy-harvesting devices, it is crucial to understand how charge and heat are transported at the nanoscale. Metallic atomic-size contacts are ideal systems to probe the quantum…
The work presents the extended theoretical model of the electrical conductance in non-magnetic and magnetic nano-size point contacts. The developed approach describes diffusive, quasi-ballistic, ballistic and quantum regimes of the…
Recent experiments on conduction between a semiconductor and a superconductor have revealed a variety of new mesoscopic phenomena. Here is a review of the present status of this rapidly developing field. A scattering theory is described…
We consider the rate-limited quantum-to-classical optimal transport in terms of output-constrained rate-distortion coding for both finite-dimensional and continuous-variable quantum-to-classical systems with limited classical common…
Quantum point contact or QPC -- a constriction in a semiconducting two-dimensional (2D) electron system with a quantized conductance -- has been found as the building block of novel spintronic, and topological electronic circuits. They can…