Related papers: Tight-binding g-Factor Calculations of CdSe Nanost…
The electron and hole g factors are the key quantities for the spin manipulations in semiconductor quantum nanostructures. However, for the individual nanostructures, the separate determination including the signs of those g factors is…
We present atomistic computations within an empirical pseudopotential framework for the electron $s$-shell ground state $g$ tensor of InGaAs quantum dots (QDs) embedded to host matrices that grant electronic confinement. A large structural…
The electronic structure of nanocrystalline (nc-) TiC/amorphous C nanocomposites has been investigated by soft x-ray absorption and emission spectroscopy. The measured spectra at the Ti 2p and C 1s thresholds of the nanocomposites are…
The electronic shell and supershell structure of triangular graphene quantum dots has been studied using density functional and tight-binding methods. The density functional calculations demonstrate that the electronic structure close to…
We discuss questions related to the interpretation of unexpected results of measurements of the proton form factors ratio G_E/G_M in the polarization experiments done in JLab in the region of 0.5 < Q^2 < 8.5 GeV^2. For this purpose, in the…
Luminescent colloidal CdSe nanorings are a new type of semiconductor structure that have attracted interest due to the potential for unique physics arising from their non-trivial toroidal shape. However, the exciton properties and dynamics…
We study the Land\'e $g$-factor of conduction electrons in the $L$-valley of bulk GaAs and AlAs by using a three-band $\mathbf{k}\cdot\mathbf{p}$ model together with the tight-binding model. We find that the $L$-valley $g$-factor is highly…
We report combined first-principle and tight-binding (TB) calculations to simulate the effects of chemical edge modifications on structural and electronic properties. The C-C bond lengths and bond angles near the GNR edge have considerable…
We report on the theoretical study of the hole states in II-IV quantum dots of a spherical and ellipsoidal shape, described by a smooth potential confinement profiles, that can be modelled by a Gaussian functions in all three dimensions.…
Temperature dependence of the electron spin $g$ factors in bulk CdTe and InP are calculated and compared with experiment. It is assumed that the only modification of the band structure related to temperature is a dilatation change in the…
In the present work we report the band structure calculations for the high temperature superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ in the regime of strong electronic correlations within an LDA+GTB method, which combines the local density…
Theory of electronic and optical properties of exciton and bi-exciton complexes confined in CdSe spherical nanocrystals is presented. The electron and hole states are computed using atomistic $sp^3d^5s^*$ tight binding Hamiltonian including…
The electron Land\'e g factor ($g^{*}$) is investigated both experimentally and theoretically in a series of GaBi$_{x}$As$_{1-x}$/GaAs strained epitaxial layers, for bismuth compositions up to $x = 3.8$%. We measure $g^{*}$ via…
We investigate theoretically the magnetic levels and optical properties of zigzag- and armchair-edged hexagonal graphene quantum dots (GQDs) utilizing the tight-binding method. A new bound edge state at zero energy appears for the zigzag…
The theory of the g factor of an electron bound to a deformed nucleus is considered non-perturbatively and results are presented for a wide range of nuclei with charge numbers from Z=16 up to Z=98. We calculate the nuclear deformation…
Spin-orbit scattering suppresses Zeeman splitting of individual energy levels in small metal particles. This suppression becomes significant when the spin-orbit scattering rate \tau_{so}^{-1} is comparable with the quantum level spacing…
The electronic structure and size-scaling of optoelectronic properties in cycloparaphenylene carbon nanorings are investigated using time-dependent density functional theory (TDDFT). The TDDFT calculations on these molecular nanostructures…
We have theoretically investigated the thermoelectric properties of impurity-doped one-dimensional semiconductors, focusing on nitrogen-substituted (N-substituted) carbon nanotubes (CNTs), using the Kubo formula combined with a…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
Qubits encoded in the spin state of heavy holes confined in Si- and Ge-based semiconductor quantum dots are currently leading the efforts toward spin-based quantum information processing. The virtual absence of spinful nuclei in purified…