Related papers: Correlation-induced corrections to the band struct…
A compact analytical model is developed for the mobile charge density of polar multiple channel field effect transistors. Two dimensional electron and hole gases can be potentially induced by spontaneous and piezoelectric polarization in…
We have investigated the correction to the hyperfine structure of heavy multicharged ions, which is connected with the nuclear-polarization effect caused by the unpaired bound electron. Numerical calculations are performed for hydrogenlike…
Compound semiconductor alloys of the type ABC find widespread applications as their electronic bulk band gap varies continuously with x, and therefore a tayloring of the energy gap is possible by variation of the concentration. We model the…
We use inelastic neutron scattering (INS) to investigate the effect of electron correlations on spin dynamics in the iron-based superconductor Ba$_{0.75}$K$_{0.25}$Fe$_{2}$As$_{2}$. Our INS data show a spin-wave-like dispersive feature,…
We investigate theoretically the electronic structure of graphene and boron nitride (BN) lateral heterostructures, which were fabricated in recent experiments. The first-principles density functional calculation demonstrates that a huge…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
By applying an unrestricted Hartree-Fock and a Random Phase approximations to a multiband Peierls-Hubbard Hamiltonian, we study the phonon mode structure in models of transition metal oxides in the presence of intrinsic nanoscale…
In this study, we highlight the potential of strain engineering in graphene/hBN (hexagonal Boron nitride) 2D heterostructures, enabling their use as wide-range light absorbers with significant implications for optoelectronic applications.…
We use the Hartree-Fock method to study an interacting one-dimensional electron system on a finite wire, partially depleted at the center by a smooth potential barrier. A uniform one-Tesla Zeeman field is applied throughout the system. We…
A first-principles investigation of the electronic properties of boron nitride nanoribbons (BNNRs) having either armchair or zigzag shaped edges passivated by hydrogen with widths up to 10 nm is presented. Band gaps of armchair BNNRs…
The tunneling process, a prototypical phenomenon of nonperturbative dynamics, is a natural consequence of photocarrier generation in materials irradiated by a strong laser. Common treatments for Zener tunneling are based on a one-body…
Using the local spin-density approximation (LSDA) and the (non self-consistent) GW approach, the (quasi-particle) band structure is calculated for MnTe in zinc-blende geometry. Different parameters characterizing the electronic structure…
We combine electron energy-loss spectroscopy and first-principles calculations based on density-functional theory (DFT) to identify the lowest indirect exciton state in the in-plane charge response of hexagonal boron nitride (h-BN) single…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
Applying a continuous-time quantum Monte-Carlo algorithm we calculate the exact coherent band dispersion and the density of states of a two dimensional lattice polaron in the region of parameters where any approximation might fail. We find…
In this paper we show how to link the electronic structures of two III-V systems, one a direct gap material, GaAs, and the other an indirect gap material, GaP, from their bulks right down to the shape of thin nanowires. GaAs and GaP bulk…
A multiband empirical tight-binding model for group-III-nitride semiconductors with a wurtzite structure has been developed and applied to both bulk systems and embedded quantum dots. As a minimal basis set we assume one s-orbital and three…
Quantum field-theory is developed for treating electrons and holes in planar systems. Non-unitary representations of Dirac equation in the plane are developed. These equations can be used for treating holes-electron pairing in high TC…
We performed electronic structure calculations based on the first-principles many-body theory approach in order to study quasiparticle band gaps, and optical absorption spectra of hydrogen-passivated zigzag SiC nanoribbons. Self-energy…
Recent progress in preparing well controlled 2D van der Waals heterojunctions has opened up a new frontier in materials physics. In this paper we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed…