Related papers: Structures and Optical Absorption of Bi2OS2 and La…

We present the anisotropic optical conductivity of MgB$_{2}$ between 0.1 and 3.7 eV at room temperature obtained on single crystals of different purity by the spectroscopic ellipsometry and reflectance measurements. The bare (unscreened)…

As a new group of advanced 2D layered materials, bismuth oxyhalides, i.e., BiOX (X = Cl, Br, I), have recently become of great interest. In this work, we characterize the third-order optical nonlinearities of BiOBr, an important member of…

We report the first optical study of CaAlSi, a superconductor which displays both the crystal structure of MgB2 and the electronic band structure of intercalated graphites. The reflectivity of a CaAlSi single crystal was measured down to…

Motivated by the recently renewed interest in the superconducting bismuth perovskites, we investigate the electronic structure of the parent compounds ABiO$_{3}$ (A= Sr, Ba) using $ab$ $initio$ methods and tight-binding (TB) modeling. We…

Both theoretical and experimental analysis are carried out to understand the physical properties of the fascinating electronic and optical properties of antimony tungstate (Sb$_2$WO$_6$). The nanosized ($\sim 40-80~nm$) material is produced…

NdO$_{0.5}$F$_{0.5}$BiS$_{2}$ is a new layered superconductor. We have studied the low-lying electronic structure of a single crystalline NdO$_{0.5}$F$_{0.5}$BiS$_{2}$ superconductor, whose superconducting transition temperature is 4.87K,…

Electronic structure of SrPd2Ge2 single crystals is studied by angle-resolved photoemission spectroscopy (ARPES), scanning tunneling spectroscopy (STS) and band-structure calculations within the local-density approximation (LDA). The STS…

Epitaxial bilayer silicon oxide is a transferable two-dimensional material predicted to be a wide band gap semiconductor, with potential applications for deep UV optoelectronics, or as a building block of van der Waals heterostructures. The…

Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…

Using density functional theory, the structural and electronic-structure properties of a recently discovered, zero-dimensional antimony halide perovskite are studied. It is found that the herein considered material EtPySbBr$_\mathrm{6}$…

We have performed first-principles calculations of Si/SiO$_2$ superlattices in order to examine their electronic states, confinement and optical transitions, using linearized-augmented-plane-wave techniques and density-functional theory.…

To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new physical phenomena and to design novel functionalities in…

We report the synthesis and characterization of a Si-based ternary semiconductor Mg$_3$Si$_2$Te$_6$, which exhibits a quasi-two-dimensional structure, where the trigonal Mg$_2$Si$_2$Te$_6$ layers are separated by Mg ions.…

We investigate the temperature effect on the electronic band structure and optical absorption property of wide-band-gap ternary nitride MgSiN$_2$ using first-principles calculations. We find that electron-phonon coupling leads to a sizable…

The vacancy-ordered double perovskites (VODP) are emerging materials for the renewable energy because of their extraordinary stability. In the present work, we have addressed the structural, electronic and optical properties of the…

We present first-principles many-body perturbation theory calculations of the quasiparticle electronic structure and of the optical response of HfO$_2$ polymorphs. We use the $GW$ approximation including core electrons by the projector…

Silicon direct bonding offers flexibility in the design and development of Si optics by allowing manufacturers to combine subcomponents with a potentially lossless and mechanically stable interface. The bonding process presents challenges…

Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been drawing much attention recently due to their promising applications for next-generation (opt)electronics. This family of 2D materials contains more than 400 members,…

We report $ab$ $initio$ band diagram and optical absorption spectra of hexagonal boron nitride ($h$-BN), focusing on unravelling how the completeness of basis set for $GW$ calculations and how electron-phonon interactions (EPIs) impact on…

$\beta$-Ga$_2$O$_3$ is an ultra-wide bandgap semiconductor and is thus expected to be optically transparent to light of sub-bandgap wavelengths well into the ultraviolet. Contrary to this expectation, it is found here that free electrons in…