Related papers: Dielectric constant of gray Tin: A first-principle…
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…
We study the dielectric function of CuBr$_\mathrm{x}$I$_{1-\mathrm{x}}$ thin film alloys using spectroscopic ellipsometry in the spectral range between 0.7 eV to 6.4 eV, in combination with first-principles calculations based on density…
We report comprehensive study of physical properties of the binary superconductor compound SnAs. The electronic band structure of SnAs was investigated using both angle-resolved photoemission spectroscopy (ARPES) in a wide binding energy…
The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate…
In-plane compressively strained $\alpha$-Sn films have been theoretically predicted and experimentally proven to possess non-trivial electronic states of a 3D topological Dirac semimetal. The robustness of these states typically strongly…
By independently engineering strain and composition, this work demonstrates and investigates direct band gap emission in the mid-infrared range from GeSn layers grown on silicon. We extend the room-temperature emission wavelength above ~4.0…
Due to their narrow band gap and compatibility with silicon processing, germanium-tin (Ge$_{1-x}$Sn$_x$) alloys are a versatile platform for scalable integrated mid-infrared photonics. These semiconductors are typically grown on silicon…
We report ab initio calculations of the electronic band structure, the corresponding optical spectra, and the phonon dispersion relations of trigonal alpha-HgS (cinnabar). The calculated dielectric functions are compared with unpublished…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density functional theory is used to calculate the electronic and…
The optical absorption properties of graphene wrapped dielectric particles have been investigated by using Mie scattering theory and exact multi-scattering method. It is shown that subwavelength strong absorption in infrared spectra can…
Exploring new topological materials with large topological nontrivial bandgaps and simple composition is attractive for both theoretical investigation and experimental realization. Recently alpha tin ({\alpha}-Sn) has been predicted to be…
We calculate the electronic structure of germanium-tin (Ge$_{1-x}$Sn$_{x}$) binary alloys for $0 \leq x \leq 1$ using density functional theory (DFT). Relaxed alloys with semiconducting or semimetallic behaviour as a function of Sn…
We report the infrared transmission measurement on electrically gated twisted bilayer graphene. The optical absorption spectrum clearly manifests the dramatic changes such as the splitting of inter-linear-band absorption step, the shift of…
We present infrared spectra (0.1-1 eV) of electrostatically gated bilayer graphene as a function of doping and compare it with tight binding calculations. All major spectral features corresponding to the expected interband transitions are…
Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which…
The opacity of graphene is known to be approximately given by the fine-structure constant $\alpha$ times $\pi$. We point out the fact that the opacity is roughly independent of the frequency and polarization of the light can be attributed…
Electronic structures of Ge$_{1-x}$Sn$_{x}$ alloys (0 $\leq$ $x$ $\leq$ 1) are theoretically studied by nonlocal empirical pseudopotential method. For relaxed Ge$_{1-x}$Sn$_{x}$, a topological semimetal is found for $\textit x$ $>$ 41$\%$…
We present the intrinsic optical properties over a broad spectral range of TiN thin films deposited on a Si/SiO$_2$ substrate. We analyze the measured reflectivity spectra of the film-substrate multilayer structure within a well-establish…
In this communication, we report a theoretical attempt to understand the involvement of electronic structure in determination of optical and thermal properties of C$_{17}$Ge germagraphene, a buckled two dimensional material. The structure…