相关论文: Structures and Optical Absorption of Bi2OS2 and La…

Direct energy bandgap materials are crucial for the efficient optoelectronics devices. Therefore, the investigation of new direct gap materials is important. In the present work, two novel d-metal sulfides Sc2CdS4 and Y2CdS4 compounds are…

We report investigations of the optical properties of the narrow gap semiconductor FeSb2 in comparison with the structural homolog RuSb2. In the infrared region the latter shows insulating behavior in whole investigated temperature range…

In this paper, we report on the optical absorption in porous silicon. We model the absorption process assuming that porous silicon is a pseudo 1D material system having a distribution of band gaps. We show that in order to explain the…

We report first-principles calculations on the normal and superconducting state of CaBe(x)Si(2-x) (x=1), in the framework of density functional theory for superconductors (SCDFT). CaBeSi is isostructural and isoelectronic to MgB2 and this…

We calculate the electronic and optical properties of InAs/InAs$_{0.625}$Sb$_{0.375}$ superlattices within relativistic density functional theory. To have a good description of the electronic and optical properties, the modified…

The so-called C2-DIBs are a class of very weak bands that fall in the blue part of the optical spectrum and are associated with high column densities of the C2 molecule. DIB profile structures constrain potential molecular carriers, but…

In our present work, five previously proposed sp$^3$ carbon crystals were suggested as silicon allotropes and their stabilities, electronic and optical properties were investigated by first-principles method. We find that these allotropes…

Black phosphorous (BP), a two-dimensional (2D) material, has a direct bandgap, which fills up the bandgap lacuna left by graphene topological insulators and transition-metal dichalcogenides because of its dependence on the layers and…

We discuss the optical conductivity of several non-interacting two-dimensional (2D) semiconducting systems focusing on gapped Dirac and Schr\"odinger fermions as well as on a system mixing these two types. Close to the band-gap, we can…

We have performed a systematic study of the electronic structures of BiMeO3 (Me = Sc, Cr, Mn, Fe, Co, Ni) series by soft X-ray emission (XES) and absorption (XAS) spectroscopy. The band gap values were estimated for all compounds in the…

We perform an in-plane optical spectroscopy measurement on high quality FeSe single crystals grown by a vapor transport technique. Below the structural transition at $T_{\rm s}\sim$90 K, the reflectivity spectrum clearly shows a gradual…

The rational design of new materials emerges as an important direction to explore new topological materials, which is based on the understanding of the correlation between crystal and electronic structures. In this paper, we perform a…

We report on optical properties of various polymorphs of hafnia predicted within the framework of density functional theory. The full potential linearised augmented plane wave method was employed together with the Tran-Blaha modified…

The crystal structures of superconducting LaO1-xFxBiS2 (x ~ 0.23, 0.46) were determined by single-crystal X-ray diffraction analysis. Their space group was P4/nmm. Distortion of the Bi-S plane changed when the F content was increased from…

The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated using the standard, hybrid density functional and…

The densities of the valence and conduction band electronic states of the newly discovered layered superconductors LaOFeAs, LaO$_{0.87}$F$_{0.13}$FeAs (Tc=26 K), SmO$_{0.95}$F$_{0.05}$FeAs and SmO$_{0.85}$F$_{0.15}$FeAs (Tc=43 K) are…

Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can…

Four ternary semiconductors with the chalcopyrite structure (BeCN2, BeSiN2, MgCN2, and MgSiN2) were studied using the first principles methods. The structural, electronic, optical and elastic properties were calculated. All these materials…

We present a comprehensive optical study of the narrow gap $FeSb_2$ semiconductor. From the optical reflectivity, measured from the far infrared up to the ultraviolet spectral range, we extract the complete absorption spectrum, represented…

High resolution angle-resolved photoemission measurements have been carried out to study the superconducting gap in the (Ba0.6K0.4)Fe2As2 superconductor with Tc=35 K. Two hole-like Fermi surface sheets around the G(0,0) point exhibit…