相关论文: Quantum interference in coherent tunnelling throug…

In this dissertation we use sophisticated numerical methods in order to examine ground-state (GS) properties of two types of quantum systems with electron electron interactions: A quantum dot (QD) and a nano-wire. In the first half of the…

Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…

The electronic transport properties and switching mechanism of single photochromic diarylethene derivatives sandwiched between two gold surfaces with closed and open configurations are investigated by a fully self-consistent nonequilibrium…

We study the transport properties of a Josephson junction consisting of two identical $s$-wave superconductors separated by an even-layer ${\mathrm{MnBi}}_{2}{\mathrm{Te}}_{4}$ (MBT). Using recursive Green's function method, we calculate…

We consider a disordered system of gapless fermions interacting with a singular transverse (2+1)-dimensional gauge-field. We study quantum corrections to fermion conductivity and show that they are very different from those in a Fermi…

We report density-functional theory (DFT), atomistic simulations of the non-equilibrium transport properties of carbon nanotube (CNT) field-effect transistors (FETs). Results have been obtained within a self-consistent approach based on the…

We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…

The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo-diodes, or memory cells, in the ballistic limit of…

The cohesion and conductance of a point contact in a two-dimensional metallic nanowire are investigated in an independent-electron model with hard-wall boundary conditions. All properties of the nanowire are related to the Green's function…

It is well-known that the formation of discrete electron levels strongly influences the pairing in metallic nanograins. Here we focus on another effect of quantum confinement in superconducting grains that was not studied previously, i.e.,…

Decoded Quantum Interferometry (DQI) promises superpolynomial speedups for structured optimization; however, its practical realization is often hindered by significant sensitivity to hardware noise and spectral dispersion. To bridge this…

We address the influence of the orbital symmetry and of the molecular alignment with respect to the laser-field polarization on laser-induced nonsequential double ionization of diatomic molecules, in the length and velocity gauges. We work…

Electron transport properties of a biphenyl molecule are studied based on the Green's function formalism. The molecule is sandwiched between two metallic electrodes, where each benzene ring is threaded by a magnetic flux $\phi$. The results…

The observation of quantum conductance oscillations in mesoscopic systems has traditionally required the confinement of the carriers to a phase space of reduced dimensionality. While electron optics such as lensing and focusing have been…

In this thesis, I investigate the molecular electronic properties of molecular junctions formed from single molecules. I started my thesis by discusses the main theoretical methods using in this work density functional theory and the green…

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a carbon nanowire which is connected to ferromagnetic electrodes. The molecule itself is…

We theoretically study the quantum-coherence-enhanced subradiance in a chiral-coupled atomic chain with nonreciprocal decay channels. The collective radiation in this one-dimensional (1D) nanophotonics system results from the resonant…

We analyze the effect of screening provided by the additional graphene layer in double layer graphene heterostructures (DLGs) on transport characteristics of DLG devices in the metallic regime. The effect of gate-tunable charge density in…

Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…

Using a first principles approach combined with analysis of heuristic tight-binding models, we examine the connectivity dependence of two forms of quantum interference in single molecules. Based on general arguments, Fano resonances are…