Related papers: Improved quasiparticle self-consistent electronic …

A GW-BSE approximation scheme is assessed by applying it to a model of asymmetric two-dimensional (2D) interacting electron system. The model is assumed to have a parabolic band characterized by two independent effective mass parameters. A…

We discuss a general approach to a realistic theory of the electronic structure in materials containing correlated d- or f- electrons. The main feature of this approach is the taking into account the energy dependence of the electron…

We present an electrostatic theory of band gap renormalization in atomically-thin semiconductors that captures the strong sensitivity to the surrounding dielectric environment. In particular, our theory aims to correct known band gaps, such…

Excitons and their complexes govern optical-related behaviors in semiconductors. Here, using angle-resolved photoemission spectroscopy (ARPES), we have elucidated the light-matter interaction mediated by quasi-steady excitonic complexes…

A one-dimensional quantum wire of Fermions is considered and ground state properties are calculated in the high density regime within the extended quasiparticle picture and Born approximation. Expanding the two-particle Green functions…

We implement the GW space-time method at finite temperatures, in which the Green's function G and the screened Coulomb interaction W are represented in the real space on a suitable mesh and in imaginary time in terms of Chebyshev…

We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…

We consider the excitonic correlations in the two band solid state system composed of the valence band and conduction band electrons. We treat the phase coherence mechanism in the system by presenting the electron operator as a fermion…

The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated using the standard, hybrid density functional and…

We present a theoretical study of the structural, electronic and transport properties of bulk Bi2Te3 within density functional theory taking into account the van der Waals interactions (vdW) and the quasiparticle self-energy corrections. It…

We investigate phase-dependent electronic and excitonic phenomena in monolayer Y2TeO2 MOenes in the 1T and 2H polymorphs using first-principles theory and an effective many-body framework. Phonon spectra and elastic stability criteria…

We have studied the electronic band properties of 2H-SiC and 4H-SiC silicon carbide polytypes. The structures of the electronic bands and density of state (DOS) using ab initio Density Functional Theory (DFT) were calculated for the first…

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…

WTe$_2$ stands out as a semimetal presenting Fermi level quantum oscillations in most measured quantities under magnetic fields. However, the electronic band structure above and below the Fermi level has not been explored completely. Here…

We study the quasiparticle band gap of the hybrid organic-inorganic lead halide perovskite CH$_3$NH$_3$PbI$_3$, using many-body perturbation theory based on the $GW$ approximation. We perform a systematic analysis of the band gap…

We have used magneto-photoluminescence measurements to establish that InP/GaAs quantum dots have a type-II (staggered) band alignment. The average excitonic Bohr radius and the binding energy are estimated to be 15nm and 1.5 meV…

The quasiparticle spectrum of a two-dimensional d-wave superconductor in the mixed state, H_c1 << H << H_c2, is studied for large values of the ``anisotropy ratio'' alpha_D = v_F/v_Delta. For a square vortex lattice rotated by 45 degrees…

The exciton-exciton interaction is investigated for quasi-two-dimensional quantum structures. A bosonization scheme is applied including the full spin structure. For generating the effective interaction potentials, the Hartree-Fock and…

Quasiparticle interference has been used frequently for the purpose of unraveling the electronic states in the vicinity of the Fermi level as well as the nature of superconducting gap in the unconventional superconductors. Using the…

The seminal work by T. Kazimierczuk et al. [Nature 514, 343 (2014)] has shown the existence of highly excited exciton states in a regime, where the correspondence principle is applicable and quantum mechanics turns into classical mechanics,…