Related papers: Theory for electron and hole fine structure and La…
The Land\'e or g-factors of charge carriers in solid state systems provide invaluable information about response of quantum states to external magnetic fields and are key ingredients in description of spin-dependent phenomena in…
In the empirical tight-binding approach we study the electronic states in spherical SiGe nanocrystals embedded in SiO2 matrix. The energy and valley structure is obtained as a function of Ge composition and nanocrystal size. The…
The tunability of the optical properties of lead halide perovskite nanocrystals makes them highly appealing for applications. Both, halide anion exchange and quantum confinement pave the way for tailoring their band gap energy. For…
We present an effective mass theory for SiGe/Si/SiGe quantum wells, with an emphasis on calculating the valley splitting. The theory introduces a valley coupling parameter, $v_v$, which encapsulates the physics of the quantum well…
We theoretically explore the electronic structure of holes in cylindrical Germanium/Silicon core/shell nanowires using a perturbation theory approach. The approach yields a set of interpretable and transferable effective low-energy models…
We present theoretical calculations of the Land\'e g-factors of semiconductor nanostructures using a time-dependent empirical tight-binding method. The eigenenergies and eigenfunctions of the band edge states are calculated as a function of…
We develop a quantum mechanical theory to describe the optical response of semiconductor nanostructures with a particular emphasis on higher-order harmonic Generation. Based on a tight-binding approach we take all two-particle correlations…
Lattice reconstruction in twisted transition-metal dichalcogenide (TMD) bilayers gives rise to piezo- and ferroelectric moir\'e potentials for electrons and holes, as well as a modulation of the hybridisation across the bilayer. Here, we…
Electron-hole systems on a Haldane sphere are studied by exact numerical diagonalization. Low lying states contain one or more types of bound charged excitonic complexes Xk-, interacting through appropriate pseudopotentials. Incompressible…
We present a theoretical study of Ge-core/Si-shell nanocrystals in a wide bandgap matrix and compare the results with experimental data obtained from the samples prepared by co-sputtering. The empirical tight-binding technique allows us to…
The energy and photoluminescence (PL) spectra of a two-dimensional electron gas (2DEG) interacting with a valence-band hole are studied in the high-magnetic-field limit as a function of the filling factor nu and the separation $d$ between…
We put forward a generalized procedure which allows to restore the bulk-like electron and hole wave functions localized in certain valleys from the wave functions of quantum confined electron/hole states obtained in atomistic calculations…
We review the existing and present the new results of $\bf kp$ calculations of the electron, hole, and exciton effective $g$-factors in semiconductor nanocrystals of different shape and symmetry. We propose a simple yet accurate method for…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
The ballistic performance of electron transport in nanowire transistors is examined using a 10 orbital sp3d5s* atomistic tight-binding model for the description of the electronic structure, and the top-of-the-barrier semiclassical ballistic…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
We use an empirical tight-binding approach to calculate electron and hole states in [111]-grown PbSe nanowires. We show that the valley-orbit and spin-orbit splittings are very sensitive to the atomic arrangement within the nanowire…
We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…
Harrison's tight-binding theory provides an excellent qualitative description of the electronic structure of the elements across the periodic table. However, the resulting band structures are in significant disagreement with those found by…
One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…