Related papers: Structures and Optical Absorption of Bi2OS2 and La…
$\alpha$-Li$_x$V$_2$O$_5$ is obtained by intercalating Li between the layers of V$_2$O$_5$. The partial filling of the split-off conduction band by electron donation from Li leads to significant changes in optical properties. Here we study…
We have carried out optical-absorption and reflectance measurements at room temperature in single crystals of AWO4 tungstates (A = Ba, Ca, Cd, Cu, Pb, Sr, and Zn). From the experimental results their band-gap energy has been determined to…
In order to clarify superconducting properties of BiS$_2$-based layered superconductors LaO$_{1-x}$F$_x$BiS$_2$, we evaluate the superconducting transition temperature $T_{\rm c}$ and analyze the gap function in a weak-coupling limit on the…
Using the density-functional perturbation theory with structural optimization, we investigate the electronic structure, phonon spectra, and superconductivity of BiS2-based layered compounds LaO1-xFxBiS2. For LaO0.5F0.5BiS2, the calculated…
We present the GGA+U calculations to investigate the electronic structure and visible light absorption of the N, B-codoped anatase TiO2. The NsBi (substitutional N, interstitial B) codoped TiO2 produces significant Ti 3d and N 2p mid-gap…
We have performed systematic angle-resolved photoemission spectroscopy (ARPES) on single-layered cuprate superconductor Bi2Sr2CuO6 to elucidate the origin of shadow band. We found that the shadow band is exactly the c(2x2) replica of the…
Here, the structural, electronic and optical properties of the GaP1-xSbx/Si tandem materials association are determined in view of its use for solar water splitting applications. The GaPSb crystalline layer is grown on Si by Molecular Beam…
Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…
Band structure and optical properties of defect- Chalcopyrite type semiconductor ZnIn$_2$Te$_4$ have been studied by TB-LMTO first principle technique. The optical absorption calculation suggest that ZnIn$_2$Te$_4$ is a direct-gap…
The nature of relativistic electrons in solids depends on the precise shape of the underlying band structure. Prominently, symmetry-related mechanisms, such as the breaking of time reversal symmetry in topological insulators, can lead to…
BiVO3F is a promising material used in solar energy conversion systems. Here, we first report the calculated structural, electronic, and surface reaction properties using PBE and hybrid density functionals. We found it is a direct band gap…
Epitaxial semiconducting NiYBi thin films were directly prepared on MgO(100) substrates by magnetron sputtering. The intensity ratio of the (200) and (400) diffraction peaks, I(200)/I(400) = 2.93, was close to the theoretical value (3.03).…
Low energy electronic structure of optimally doped YBa2Cu3O7-d is investigated using laser-excited angle-resolved photoemission spectroscopy. The surface state and the CuO chain band that usually overlap the CuO2 plane derived bands are not…
We calculate the microwave conductivity of a two band superconductor with $s^\pm$ gap symmetry. Inelastic scattering is included approximately in a BCS model augmented by a temperature dependent quasiparticle scattering rate assumed,…
The band structure and the Fermi surface of hexagonal diborides ZrB2, VB2, NbB2, TaB2 have been studied by the self-consistent full-potential LMTO method and compared with those for the isostructural superconductor MgB2. Factors responsible…
Materials combining both a high refractive index and a wide band gap are of great interest for optoelectronic and sensor applications. However, these two properties are typically described by an inverse correlation with high refractive…
The electronic structure and superconducting gap structure are prerequisites to establish microscopic theories in understanding the superconductivity mechanism of iron-based superconductors. However, even for the most extensively studied…
The electronic band structure of V$_2$O$_5$ is calculated using an all-electron quasiparticle self-consistent (QS) $GW$ method, including electron-hole ladder diagrams in the screening of $W$. The optical dielectric function calculated with…
We present ultrafast optical switching experiments on 3D photonic band gap crystals. Switching the Si inverse opal is achieved by optically exciting free carriers by a two-photon process. We probe reflectivity in the frequency range of…
We present a microscopic study of superconductivity in OsB2 , and discuss the origin and characteristic length scales of the superconducting state. From first-principles we show that OsB2 is characterized by three different Fermi sheets,…