相关论文: Inter-base Electronic Coupling for transport throu…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
We analyze the effects of the long-range Coulomb interaction on the distribution of Berry curvature among the bands near charge neutrality of twisted bilayer graphene (TBG) closely aligned with hexagonal boron nitride (hBN). Due to the…
Graphene on hexagonal boron-nitride (h-BN) is an atomically flat conducting system that is ideally suited for probing the effect of Zeeman splitting on electron transport. We demonstrate by magneto-transport measurements that a parallel…
Recently observed Aharonov-Bohm quantum interference of period h/2e in charge density wave rings strongly suggest that correlated density wave electron transport is a cooperative quantum phenomenon. The picture discussed here posits that…
Electronic, transport, and spin properties of grain boundaries (GBs) are investigated in electrostatically doped graphene at finite electron densities within the Hartree and Hubbard approximations. We demonstrate that depending on the…
We present two improvements to the tight-binding approximation of time-dependent density functional theory (TD-DFTB): Firstly, we add an exact Hartree-Fock exchange term, which is switched on at large distances, to the ground state…
In this work we report the study of conformation dependent electronic transport properties of DNA double-helix within tight-binding framework including its helical symmetry. We have studied the changes in localization properties of DNA as…
Motivated by the wide ranging experimental results on the conductivity of DNA, we have investigated extraordinary configurations and chemical environments in which DNA might become a true molecular wire, perticularly from enhanced…
We investigate the transport and single particle relaxation times of silicene in the presence of neutral and charged impurities. The static charge conductivity is studied using the semiclassical Boltzmann formalism when the spin-orbit…
In order to interpret recent experimental studies of the dependence of conductance of ds-DNA as the DNA is pulled from the 3'end1-3'end2 ends, which find a sharp conductance jump for a very short (4.5 %) stretching length, we carried out…
We present a study of electric transport at high temperature in a model of strongly interacting spinless fermions without disorder. We use exact diagonalization to study the statistics of the energy eigenvalues, eigenstates, and the matrix…
Dynamical simulations of polaron transport in conjugated polymers in the presence of an external time-dependent electric field have been performed within a combined extended Hubbard model (EHM) and Su-Schrieffer-Heeger (SSH) model. Nearly…
Controlling the transport and nature of quantum excitations in low-dimensional systems is a key requirement for scalable quantum devices, including communication networks and quantum simulators. We propose a one-dimensional hybrid quantum…
Boltzmann transport theory fails near the linear band-crossing of single-layer graphene and near the quadratic band-crossing of bilayer graphene. We report on a numerical study which assesses the role of inter-band coherence in transport…
Recent investigations of the magnetic properties and the discovery of superconductivity in quasi-one-dimensional triangular lattice organic charge-transfer solids have indicated the severe limitations of the effective 1/2-filled band…
We examine the origin of the formation of narrow bands in LK-99 (Pb$_{9}$Cu(PO$_4$)$_6$O) and the parent compound without the Cu doping using density functional theory calculations and model Hamiltonian studies. Explicit analytical…
This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…
We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…
One-particle interchain hopping in a system of coupled Luttinger liquids is investigated by use of exact diagonalizations techniques. Firstly, the two chain problem of spinless fermions is studied in order to see the behaviour of the band…
Purely ballistic transport is a rare feature even for integrable models. By numerically studying the Heisenberg chain with the power-law exchange, \mbox{$J\propto1/r^\alpha$}, where $r$ is a distance, we show that for spin anisotropy…