Related papers: Microscopic Electronic Wavefunction and interactio…
The problem of interacting electrons moving under the influence of a strong magnetic field in two dimensions on a finite disk is reconsidered. First, the results of exact diagonalizations for up to $N=9$ electrons for Coulomb as well as for…
We studied the edge states and transverse electron focusing in the presence of spin-orbit interaction in a two dimensional electron gas. Assuming strong spin-orbit coupling we derived semiclassical quantization conditions to describe the…
We study the self-trapping of quasiparticles (electrons, holes, excitons, etc) in a molecular chain with the structure of a ring, taking into account the electron-phonon interaction and the radial and tangential deformations of the chain. A…
We performed first-principles density functional theory (DFT) and GW calculations to investigate electronic structures of bulk and few-layer PdSe2. We obtained the quasiparticle band structure of bulk PdSe2, and the obtained energy gap…
We study theoretically the optical properties of quantum tubes, one-dimensional semiconductor nanostructures where electrons and holes are confined to a cylindrical shell. In these structures, which bridge between 2D and 1D systems, the…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
We develop a tight-binding model description of semi-Dirac electronic spectra, with highly anisotropic dispersion around point Fermi surfaces, recently discovered in electronic structure calculations of VO$_2$/TiO$_2$ nano-heterostructures.…
Account of an intrinsic spin-orbit coupling in the valence bands of common semiconductors yields the scalar spin-orbit-rotation term in the effective-mass Hamiltonian of the conduction-band electron. This result is obtained within the…
The correlated motion of electrons in a one dimensional system with an externally applied longitudinal electric field is discussed. Within the tight binding model we show that in addition to the well known Bloch oscillations the…
Electron transport properties of a non-interacting mesoscopic ring sandwiched between two metallic electrodes are investigated by the use of Green's function formalism. We introduce a parametric approach based on the tight-binding model to…
A simulated annealing (SA) approach is employed in the determination of different tight binding (TB) sets of parameters for the nitride semiconductors AlN, GaN and InN, as well their limitations and potentialities are also discussed. Two…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
The screened electron-electron interaction in a multi-band electron system is calculated within the random phase approximation and in the tight-binding representation. The obtained dielectric matrix contains, beside the usual site-site…
We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…
The electronic Schr\"odinger equation describes the motion of N electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wavefunctions, depend on 3N variables, three spatial…
In this study, a formal definition, robustness analysis and discussion on the control of a position-based semiconductor charge qubit are presented. Such a qubit can be realized in a chain of coupled quantum dots, forming a register of…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
The exchange and correlation $E_{xc}$ of strongly correlated electrons in 2D layers of finite width are studied as a function of the density parameter $r_s$, spin-polarization $\zeta$ and the temperature $T$. We explicitly treat…
The equations-of-motion for the density matrix are derived in a multiband model to describe the response of semiconductors (bulk or quantum well structures) under optical excitation with arbitrary polarization. The multiband model used,…
High-$T_c$ superconductors are usually described as strongly correlated electronic systems. This feature deeply affects the one-particle and two-particle properties of the system. In particular, a large incoherent background developes on…