Related papers: The local electronic structure of alpha-Li3N

The electronic structure of the ferroelectric crystal, NaNO$_2$, is studied by means of first-principles, local density calculations. Our ab-initio, non-relativistic calculations employed a local density functional approximation (LDA)…

We propose a spectral-averaging procedure that enables computation of bandwidth-integrated local density of states (LDOS) from a single scattering calculation, and exploit it to investigate the minimum extinction achievable from dipolar…

First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…

In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bethe-Salpeter equation (BSE) formalism to investigate…

The local, eigenfunction-weighted acoustic phonon density of states (DOS) tensor is calculated for a model substrate consisting of a semi-infinite isotropic elastic continuum with a stress-free surface. On the surface, the local DOS is…

We present density functional theory (DFT) calculations and a full set of X-ray spectra (resonant inelastic X-ray scattering and X-ray photoelectron spectra) measurements of single crystal CaFe2As2. The experimental valence band spectra are…

The local density of states (LDOS) of the adsorbate induced two-dimensional electron system (2DES) on n-InAs(110) is studied by low-temperature scanning tunneling spectroscopy. The LDOS exhibits irregular structures with fluctuation lengths…

The one-particle density of states (1P-DOS) in a system with localized electron states vanishes at the Fermi level due to the Coulomb interaction between electrons. Derivation of the Coulomb gap uses stability criteria of the ground state.…

We develop a theory of the local density of states (LDOS) of disordered superconductors, employing the non-linear sigma-model formalism and the renormalization-group framework. The theory takes into account the interplay of disorder and…

We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…

The local density of states (LDOS) in a one-dimensional helical channel of finite length is studied within a Tomonaga-Luttinger model at zero temperature. Two particular cases of loop and Josephson junction geometries are considered. The…

We present a systematic study of quasi-one-dimensional density of states (DOS) in electron accumulation layers near a Si-SiO2 interface. In the experiments we have employed two conceptually different objects to probe DOS, namely, a…

Recent work on atomic-precision dopant incorporation technologies has led to the creation of both boron and aluminum $\delta$-doped layers in silicon with densities above the solid solubility limit. We use density functional theory to…

The ground state of an homogeneous electron gas is a paradigmatic state that has been used to model and predict the electronic structure of matter at equilibrium for nearly a century. For half a century, it has been successfully used to…

Three fundamentally different electronic structures for 3d electron states in LaCoO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic- like approach that yields the discrete energy…

Effective models focused on pertinent low-energy degrees of freedom have substantially contributed to our qualitative understanding of quantum materials. An iconic example, the Kondo model, was key to demonstrating that the rich phase…

Motivated by recent scanning tunneling microscopy experiments on surfaces of Bi$_{1-x}$Sb$_{x'}$\cite{yazdanistm,gomesstm} and Bi$_2$Te$_3$,\cite{kaptunikstm,xuestm} we theoretically study the electronic structure of a 3-dimensional (3D)…

Within standard treatments of the interacting electron--phonon system the electron density of states (EDOS) shows no sign of the phonons when the system is in the normal state. On the other hand, emergence of a fine energy scale in the…

Ab-initio, self-consistent electronic energy bands of zinc blende CdS are reported within the local density functional approximation (LDA). Our first principle, non-relativistic and ground state calculations employed a local density…

We study the dependence of the local density of states (LDOS) on coordinates for a superconductor-ferromagnet (S/F) bilayer and a S/F/S structure assuming that the exchange energy h in the ferromagnet is sufficiently large: $% h\tau >>1,$…