Related papers: A first-principles approach to electrical transpor…
Scaling of semiconductor devices has reached a stage where it has become absolutely imperative to consider the quantum mechanical aspects of transport in these ultra small devices. In these simulations, often one excludes a rigorous band…
Here, we employ a numerical approach to investigate the transport and conductance characteristics of a quantum point contact. A quantum point contact is a narrow constriction of a width comparable to the electron wavelength defined in a…
An ab initio quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results…
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…
Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…
In this colloquia review we discuss methods for thermal transport calculations for nanojunctions connected to two semi-infinite leads served as heat-baths. Our emphases are on fundamental quantum theory and atomistic models. We begin with…
A microscopic theory of the transport properties of quantum point contacts giving a unified description of the normal conductor- superconductor (N-S) and superconductor-superconductor (S-S) cases is presented. It is based on a model…
We explore theoretically the properties of engineered bimetallic nano-structured superlattices where an array of nano-clusters of a simple (single band) metal are embedded periodically inside another simple metal with a different work…
We use a generalized Master equation (GME) formalism to describe the non-equilibrium time-dependent transport through a short quantum wire connected to semi-infinite biased leads. The contact strength between the leads and the wire are…
In this study, we propose a recursive approach to study the transport properties of atomic wires. It is based upon a real-space block-recursion technique with Landauer's formula being used to express the conductance as a scattering problem.…
We study the effect of electron-electron interaction and spin on electronic and transport properties of gated graphene nanoribbons (GNRs) in a perpendicular magnetic field in the regime of the lowest Landau level (LL). The electron-electron…
Over the last two decades a plethora of new thermoelectric materials, their alloys, and their nanostructures were synthesized. The ZT figure of merit, which quantifies the thermoelectric efficiency of these materials increased from values…
One-dimensional (1D) electronic transport and induced superconductivity in semiconductor nano-structures are crucial ingredients to realize topological superconductivity. Our approach for topological superconductivity employs a…
We illustrate how classical chaotic dynamics influences the quantum properties at mesoscopic scales. As a model case we study semiclassically coherent transport through ballistic mesoscopic systems within the Landauer formalism beyond the…
A model is presented for the quantum transport of electrons, across finite atomic wire nanojunctions between electric leads, at zero bias limit. In order to derive the appropriate transmission and reflection spectra, familiar in the…
We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with…
Quantum dots are nanoscopic systems, where carriers are confined in all three spatial directions. Such nanoscopic systems are suitable for fundamental studies of quantum mechanics and are candidates for applications such as quantum…
There has been a recent surge of interest in understanding charge transport at atomic scales. The motivations are myriad, including understanding the conductance properties of peptides measured experimentally. In this study, we propose a…
The continuing miniaturization of microelectronics raises the prospect of nanometre-scale devices with mechanical and electrical properties that are qualitatively different from those at larger dimensions. The investigation of these…
Metallic nanostructures (the nanofilms and nanowires) are widely used in electronic devices, and their thermal transport properties are crucial for heat dissipation. However, there are still gaps in understanding thermal transport in…