Related papers: Electronic structure of CdTe nanocrystals: A tight…
The structural inversion asymmetry-induced spin-orbit interaction of conduction band electrons in zinc-blende and wurtzite semiconductor structures is analysed allowing for a three-dimensional (3D) character of the external electric field…
Band alignment effects of anatase and rutile nanocrystals in TiO$_2$ powders lead to an electron hole separation, increasing the photo catalytic efficiency of these powders. While size effects and types of possible alignments have been…
In this comprehensive study, we undertake a thorough theoretical examination of the electronic subband structures within cove-edged zigzag graphene nanoribbons (CZGNRs) using the tight-binding model. These unique nanostructures arise from…
An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an…
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…
The band structure of fully hydrogenated Si nanosheets and nanotubes are elucidated by the use of an empirical tight-binding model. The hydrogenated Si sheet is a semiconductor with indirect band gap of about 2.2 eV. The symmetries of the…
Colloidal Quantum Dots (CQDs), major building blocks in modern opto-electronic devices, have so far been synthesized with only one emission center where the exciton resides. Recent development of coupled Colloidal Quantum Dots Molecules…
We investigate the electronic properties of MXenes by three bands tight-binding model of \d_{z^2} , \d_{xy} , and \d_{x^2-y^2} orbitals. The three corresponding bands touch each other at high symmetry K point in the case of absence of…
Understanding how the orbital motion of electrons is coupled to the spin degree of freedom in nanoscale systems is central for applications in spin-based electronics and quantum computation. We demonstrate this coupling of spin and orbit in…
A sequence of photoluminescence spectroscopy based methods are used to rigorously identify and study all the main spectral features (more than thirty emission lines) of site controlled InGaAs/AlGaAs quantum dots (QDs) grown along [111]B in…
A method for the calculation of the electronic structure of pyramidal self-assembled InAs/GaAs quantum dots is presented. The method is based on exploiting the exact $\bar{C}_{4}$ symmetry of the 8-band $k\cdot p$ Hamiltonian with the…
Electrostatic confinement in semiconductors provides a flexible platform for the emulation of interacting electrons in a two-dimensional lattice, including in the presence of gauge fields. This combination offers the potential to realize a…
We present a comprehensive spectral analysis of cylindrical quantum heterostructures by considering effective electronic carriers with position-dependent mass for five different kinetic-operator orderings. We obtain the bound energy…
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…
The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme,…
Quantum confined devices of three-dimensional topological insulators have been proposed to be promising and of great importance for studies of confined topological states and for applications in low energy-dissipative spintronics and…
We provide an atomistic tight-binding description of a few carriers confined in ambipolar (n-p) double quantum dots defined in a semiconducting carbon nanotube. We focus our attention on the charge state of the system in which Pauli…
We consider an electrostatically induced square lattice of quantum dots and study the role of electron-electron correlations in the resulting electronic features of the system. We utilize the Wannier functions methodology in order to…
The structure of the ground state exciton of Cd(Se,Te) quantum dots embedded in ZnTe matrix is studied experimentally using photoluminescence spectroscopy and theoretically using ${\bf k}\cdot{\bf p}$ and configuration interaction methods.…