Related papers: Self-consistent solution of Hedin's equations: sem…
We calculate the band gaps of 12 inorganic semiconductors and insulators composed of atoms from the first three rows of the periodic table using periodic equation-of-motion coupled-cluster theory with single and double excitations…
In solid-state physics/chemistry, a precise understanding of defect formation and its impact on the electronic properties of wide-bandgap insulators is a cornerstone of modern semiconductor technology. However, complexities arise in the…
The experimental valence band photoemission spectrum of semiconductors exhibits multiple satellites that cannot be described by the GW approximation for the self-energy in the framework of many-body perturbation theory. Taking silicon as a…
Hybrid superconductor-semiconductor systems have received a great deal of attention in the last few years because of their potential for quantum engineering, including novel qubits and topological devices. The proximity effect, the process…
We compare the ability of four popular hybrid density functionals (B3LYP, B3PW91, HSE, and PBE0) for predicting band gaps of semiconductors and insulators over a large benchmark set using a consistent methodology. We observe no significant…
I review theoretical ideas and implications of experiments for the gap structure and symmetry of the Fe-based superconductors. Unlike any other class of unconventional superconductors, one has in these systems the possibility to tune the…
By combining band gap engineering with the self-organized growth of quantum dots, we present a scheme of adjusting the mid-infrared absorption properties to desired energy transitions in quantum dot based photodetectors. Embedding the self…
We study the mechanism of orbital/spin fluctuations due to multiorbital Coulomb interaction in iron-based superconductors, going beyond the random-phase-approximation. For this purpose, we develop a self-consistent vertex correction (SC-VC)…
Presence of bound pairs (excitons) in a low-temperature electron-hole plasma is accounted for by including correlation between fermions at the ladder level. Using a simplified one-dimensional model with on-site Coulomb interaction, we…
The modified Becke-Johnson exchange potential combined with local-density approximation correlation (mBJLDA) has recently attracted interest because it provides highly improved band gaps at a very low computational cost. In this work we…
In this work we study theoretically the electronic properties of a sheet of graphene grown on a periodic heterostructure substrate. We write an effective Dirac equation, which includes a dependence of both the band gap and the Fermi…
Preparation of solid solutions represents an effective means to improve the photocatalytic properties of semiconductor-based materials. Nevertheless, the effects of site-occupancy disorder on the mixing stability and electronic properties…
To solve the spinor-spinor Bethe-Salpeter equation in Euclidean space we propose a novel method related to the use of hyperspherical harmonics. We suggest an appropriate extension to form a new basis of spin-angular harmonics that is…
For the newly discovered ironbased superconductors we propose a one band model for conduction band with first and secondnearestneighbor electron hoppings with two types of d wave and three types of s wave pairing symmetries for the…
We present a generalized Galitskii approach for the Bethe-Salpeter equation for the two-particle vertex function of a Fermi system with resonant interaction by accounting for the resonant state in the scattering potential and utilizing the…
The one-loop quantum corrections of Chern-Simons spinor electrodynamics in the light-cone gauge has been investigated. We have calculated the vacuum polarization tensor, fermionic self-energy and on-shell vertex correction with a hybrid…
Conventional semiconductors typically have bonding states near the valence band maximum (VBM) and antibonding states near the conduction band minimum (CBM). Semiconductors with the opposite electronic configuration, namely an antibonding…
Gap structure in noncentrosymmetric superconductors with spin-orbit band splitting is studied using a microscopic model of pairing mediated by phonons and/or spin fluctuations. The general form of pairing interaction in the band…
The pseudogap state of cuprate high-temperature superconductors has been often viewed as either a yet unknown competing order or a precursor state to superconductivity. While awaiting the resolution of the pseudogap problem in cuprates, we…
The $GW$ approximation is based on the neglect of vertex corrections, which appear in the exact self-energy and the exact polarizability. Here, we investigate the importance of vertex corrections in the polarizability only. We calculate the…