Related papers: Ba_{2}TeO as an optoelectronic material: First-pri…
A comparison of the structural, optical and electronic properties of the recently discovered transparent conducting oxide (TCO), nanoporous Ca12Al14O33, with those of the conventional TCO's (such as Sc-doped CdO) indicates that this…
TiO2 is a wide band-gap semiconductor that has been intensively investigated for photocatalysis and water-spiting. However, weak light absorption in the visible region of the spectrum poses stringent limitation to its practical application.…
Nickel oxide is a versatile p-type semiconducting oxide with many applications in opto-electronic devices, but high doping concentrations are often required to achieve necessary electrical conductivity. In contrast to many other transparent…
TiO$_2$ anatase has its significant importance in energy and environmental research. However, the major drawback of this immensely popular semi-conductor is its large bandgap of 3.2 eV. Several non-metals have been doped experimentally for…
The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…
The optical properties of a large, detwinned single crystal of BaFe$_2$As$_2$ have been examined over a wide frequency range above and below the structural and magnetic transition at $T_{\rm N}\simeq 138$ K. Above $T_{\rm N}$ the real part…
Results of first principles augmented spherical wave electronic structure calculations for niobium dioxide are presented. Both metallic rutile and insulating low-temperature NbO2, which crystallizes in a distorted rutile structure, are…
The structural, electronic, and optical properties of metal (Si, Ge, Sn, and Pb) mono- and co-doped anatase TiO$_{2}$ nanotubes are investigated, in order to elucidate their potential for photocatalytic applications. It is found that Si…
Various ternary chalcogenide systems and their properties are one of the hot topics for researchers nowadays. In this article, one of the ternary chalcogenide compounds, CdTl2Te4 is studied including its electronic structures and optical…
We performed an optical spectroscopy measurement on single crystals of $\mathrm{Ba_2Ti_2Fe_2As_4O}$, which is a newly discovered superconductor showing a coexistence of superconductivity and density wave order. The study reveals a spectral…
GeO$_2$ has an $\alpha$-quartz-type crystal structure with a very wide fundamental band gap of 6.6 eV and is a good insulator. Here we find that the stable rutile-GeO$_2$ polymorph with a 4.6 eV band gap has a surprisingly low $\sim$6.8 eV…
In this paper, I demonstrate a density functional theory plus dynamical mean field theory study on the electronic properties of doped $TiO_2$ rutile as well as another tetragonal phase anatase with oxygen vacancy. The density of states and…
A new iron-oxychalcogenide (CaO)(FeSe) was obtained which crystallizes in the orthorhombic space group Pnma (No. 62) with a = 5.9180(12) {\AA}, b = 3.8802(8) {\AA}, c = 13.193(3) {\AA}. The unique structure of (CaO)(FeSe) is built up of a…
Contrary to what might be expected, when an organic dye is sputtered onto an opaque holey metal film, transmission bands can be observed at the absorption energies of the molecules. This phenomenon, known as absorption-induced transparency,…
We measured the optical conductivity of superconducting single crystals of Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$ with $x$ ranging from 0.40 (optimal doping, $T_c = 39$ K) down to 0.20 (underdoped, $T_c = 16$ K), where a magnetic order coexists…
The optical and electronic properties of crystalline Li2TeO3, which is a tellurite glass, is studied in the framework of density functional theory (DFT) implemented software SIESTA. The material has monoclinic symmetrized structure and the…
We report on the growth of Y2Ti2O7 single crystals by optical floating zone technique. X-ray diffraction and Raman spectroscopy studies confirm the structural quality of the crystal. The UV-Vis optical studies reveal that the grown crystals…
We present detailed temperature dependent optical data on BaFe$_{2-x}$Co$_{x}$As$_{2}$ (BCFA), with x = 0.14, between 4 meV and 6.5 eV. We analyze our spectra to determine the main optical parameters and show that in this material the…
Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature…
The work is necessitated by search for new materials to detect ionizing radiation. The rare-earth ions doped with ternary alkali earth-halide systems are promising scintillators showing high efficiency and energy resolution. Some aspects of…