Related papers: Electronic structure and self energies of randomly…
We use ab initio density functional theory to study the equilibrium geometry and electronic structure of few-layer grey arsenic. In contrast to the bulk structure that is semimetallic, few-layer grey As displays a significant band gap that…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
We realize a two-dimensional electron system (2DES) in ZnO by simply depositing pure aluminum on its surface in ultra-high vacuum, and characterize its electronic structure using angle-resolved photoemission spectroscopy. The aluminum…
An exactly soluble one-dimensional model of electrons interacting with order parameter fluctations associated with short-range order is considered. The energy and momentum dependence of the electronic self energy and spectral function are…
We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum dependent, but it can be…
Cosine-shaped bands that occur in DFT-based electronic band structures for MgB2 are further analyzed with calculations along reciprocal directions parallel to the high symmetry G-A direction at regular intervals along G-M. Band degeneracies…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
The Fermi surface is an abstract object in the reciprocal space of a crystal lattice, enclosing the set of all those electronic band states that are filled according to the Pauli principle. Its topology is dictated by the underlying lattice…
We discuss the low-temperature behavior of the electronic self-energy in the vicinity of a ferromagnetic instability in two dimensions within the two-particle self-consistent approximation, functional renormalization group and Ward-identity…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…
Electron distributions produced by grazing impact of fast protons on Mg(0001), Cu(111), Ag(111) and Au(111) surfaces are investigated, focusing on the effects of the electronic band structure. The process is described within the…
Using a novel self-consistent implementation of Hedin's GW perturbation theory we calculate space and energy dependent self-energy for a number of materials. We find it to be local in real space and rapidly convergent on second-- to third--…
The electronic band structures of the LaOFeP superconductor have been calculated theoretically by the first principles method and measured experimentally by electron energy loss spectroscopy. The calculations indicate that the Fe atom in…
We present a general formalism for investigating the second-order optical response of solids to an electric field in weakly disordered crystals with arbitrarily complicated band structures based on density-matrix equations of motion, on a…
The three-dimensional (3D) electronic structure of the hidden order compound URu$_2$Si$_2$ in a paramagnetic phase was revealed using a 3D angle-resolved photoelectron spectroscopy where the electronic structure of the entire Brillouin zone…
Moir\'e materials provide a highly tunable environment for the realization of band structures with engineered physical properties. Specifically, moir\'e structures with Fermi surface flat bands - a synthetic environment for the realization…
We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…
The first angle-resolved photoemission spectroscopy results from MgB$_2$ single crystals are reported. Close to the $\Gamma$K and $\Gamma$M directions, three distinct dispersions are observed approaching the Fermi energy, as can be assigned…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…