相关论文: Quantum interference in coherent tunnelling throug…

Using self-consistent calculations based on Non-Equilibrium Green's Function (NEGF) formalism, the origin of negative differential resistance (NDR) in molecular junctions and quantum wires is investigated. Coupling of the molecule to…

We present a systematic investigation of all sixteen marginally relevant fermion-fermion interactions in two-dimensional time-reversal symmetry-breaking kagom\'{e} semimetals hosting a quadratic band crossing point. Employing a…

A quantitative and predictive theory of quantum light-matter interactions in ultra thin materials involves several fundamental challenges. Any realistic model must simultaneously account for the ultra-confined plasmonic modes and their…

The exploring and understanding the electronic properties of molecules connected to metallic leads is a vital part of nanoscience if molecule is to have a future. This thesis documents a study for various families of organic and…

We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…

Decoherence is an undesirable, but ubiquitous phenomenon in quantum systems. Here, we study the effect of partial decoherence, induced via a B\"uttiker probe, on two-terminal electronic transport across one-dimensional quantum wires and…

The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green's function method combined with the density functional theory. The symmetry of the…

A surface-adsorbed molecule is contacted with the tip of a scanning tunneling microscope (STM) at a pre-defined atom. On tip retraction, the molecule is peeled off the surface. During this experiment, a two-dimensional differential…

We present a novel implementation of the first-principles approach to molecular charge transport using the non-equilibrium Green's function formalism in combination with the ADF/BAND periodic band-structure DFT code, together with results…

We study computationally the electron transport properties of dithiocarboxylate terminated molecular junctions. Transport properties are computed self-consistently within density functional theory and nonequilibrium Green's functions…

Semiclassical spin-coherent kinetic equations can be derived from quantum theory with many different approaches (Liouville equation based approaches, nonequilibrium Green's functions techniques, etc.). The collision integrals turn out to be…

We study quantum interference effects due to electron motion on the Kagom\'e lattice in a perpendicular magnetic field. These effects arise from the interference between phase factors associated with different electron closed-paths. From…

We demonstrate a new class of molecules for exceptional performance in molecular electronics and spintronics. Phenalenyl-based radicals are stable radicals whose electronic properties can be tuned readily by heteroatom substitution. We…

We report a first principles formalism and its numerical implementation for treating quantum transport properties of nanoelectronic devices with atomistic disorder. We developed a nonequilibrium vertex correction (NVC) theory to handle the…

We investigate the charge-detection-induced dephasing of a charge qubit interacting with an electronic beam collider composed of a quantum point contact. We report that, while the qubit is dephased by the partitioned beam of uncorrelated…

Spin dependent electron transport measurements on graphene are of high importance to explore possible spintronic applications. Up to date all spin transport experiments on graphene were done in a semi-classical regime, disregarding quantum…

We present a theoretical analysis for photon-assisted electron tunneling through a hybrid superconducting-normal quantum point contact (QPC) consisting of a superconducting lead (S), a normal two-level quantum dot (N), and a normal lead…

We study the subgap transport properties of a small capacitance normal metal-superconductor tunnel junction coupled to an external electromagnetic environment. Mesoscopic interference between the electrons in the normal metal strongly…

We show that two-particle interferences can be used to probe the nuclear motion in a doubly-excited hydrogen molecule. The dissociation of molecular hydrogen by electron impact involves several decay channels, associated to different…

We consider quantum point contacts (QPCs) defined within disordered two-dimensional electron gases as studied by scanning gate microscopy. We evaluate the conductance maps in the Landauer approach and wave function picture of electron…