Related papers: Surface electronic structure for Al(111) by a scat…
Photonic crystals with a finite size can support surface modes when appropriately terminated. We calculate the dispersion curves of surface modes for different terminations using the plane wave expansion method. These non-radiative surface…
The electronic bandstructure and the Fermi surfaces of ferromagnetic CeRh3B2 are calculated by using FLAPW and LSDA+U method. As assuming several kinds of the ground state to describe the 4f electronic state, we propose a fully orbital- and…
The bulk band structure of the topological insulator \sbte~ is investigated by angle-resolved photoemission spectroscopy. Of particular interest is the dispersion of the uppermost valence band with respect to the topological surface state…
The electronic structure of nanoscopic oxide-coated aluminum islands is investigated using a tight-binding model that incorporates the geometry, chemistry and disorder of the particle. The oxide coat is found to significantly increase the…
We report on the investigation of the atomic and electronic structures of a clean Si(331)-(12$\times$1) surface using a first-principles approach with both plane wave and strictly localized basis sets. Starting from the surface structure…
There is currently a renewed interest in the development of experimental methods to achieve the elastic characterization of thin films, multilayers and acoustic resonators operating in the GHz range of frequencies. The potentialities of…
Photoemission spectra of the perovskites Ca$_x$Sr$_{1-x}$VO$_3$, Ca$_x$La$_{1-x}$VO$_3$, and SrRuO$_3$ indicate that Coulomb correlations are more pronounced at the surface than in the bulk. To investigate this effect we use the dynamical…
The band structure of alfa-(Per)2M(mnt)2, leads to a description of these materials as nearly perfectly one dimensional conductors. The conduction is mainly along the stacking direction of the partially oxidized perylene molecules,…
Metal surfaces with disorder or with nanostructure modifications are studied, allowing for a localized charge layer (CL) in addition to continuous charges (CC) in the bulk, both charges having a compressional or diffusive non-local…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
The electronic structures of UX$_3$ (X=Al, Ga, and In) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl$_3$…
So far, it represents a challenging task to reproduce angle-resolved photoelectron (ARPES) spectra of epitaxial silicene by first-principles calculations. Here, we report on the resolution of the previously controversial issue related to…
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…
Alkali-metal adsorption on the surface of materials is widely used for in situ surface electron doping, particularly for observing unoccupied band structures by angle-resolved photoemission spectroscopy (ARPES). However, the effects of…
We performed Scanning Tunneling Microscopy and Spectroscopy (STM/STS) measurements to investigate the Zintl phase Eu$_5$In$_2$Sb$_6$, a non-symmorphic antiferromagnet. The theoretical prediction of a non-trivial Fermi surface topology…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
In crystalline systems with a superstructure, the electron dispersion can form a nontrivial covering of the Brillouin zone. It is proved that the number of sheets in this covering and its monodromy are topological invariants under ambient…
The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study the electronic structure of InAs(001), InAs(111), and…
In the heavy fermion materials, the characteristic energy scales of many exotic strongly correlated phenomena (Kondo effect, magnetic order, superconductivity, etc.) are at milli-electron-volt order, implying that the heavy fermion…
We present calculations of the tunneling density of states in an anisotropically paired superconductor for two different sample geometries: a semi-infinite system with a single specular wall, and a slab of finite thickness and infinite…