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

We investigate non-Hermitian photonic crystals in which the lossy and lossless constituents share the same real permittivity and differ only in their imaginary part. We characterize the complex band structure and reflection response of both…

A theoretical investigation is made of the dispersion characteristics of plasmons in a two-dimensional periodic system of semiconductor (dielectric) cylinders embedded in a dielectric (semiconductor) background. We consider both square and…

We have studied the electronic structure of epitaxially grown thin films of La$_{1-x}$Sr$_x$FeO$_3$ by {\it in-situ} photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS) measurements. The Fe 2$p$ and valence-band PES…

The first angle-resolved photoemission spectroscopy results from MgB$_2$ single crystals are reported. Close to the $\Gamma$K and $\Gamma$M directions, three distinct dispersions are observed approaching the Fermi energy, as can be assigned…

We study optical properties of two dimensional silicene using density functional theory based calculations. Our results on optical response property calculations show that they strongly depend on direction of polarization of light, hence…

We discuss the electronic structure, lattice dynamics and electron-phonon interaction of newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$ using density functional based calculations. A strong Fermi surface nesting at…

We calculate the photonic band gap of triply periodic bicontinuous cubic structures and of tubular structures constructed from the skeletal graphs of triply periodic minimal surfaces. The effect of the symmetry and topology of the periodic…

The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave method, within the density functional theory and generalized…

Black phosphorus (BP) stands out among two-dimensional (2D) semiconductors because of its high mobility and thickness dependent direct band gap. However, the quasiparticle band structure of ultrathin BP has remained inaccessible to…

A combined approach of first-principles density-functional calculations and the systematic cluster-expansion scheme is presented. The dipole, quadrupole, and Coulomb matrix elements obtained from ab initio calculations are used as an input…

We study the behavior of the pseudogap in overdoped Bi$_{2}$Sr$_2$CaCu$_2$O$_{8+d}$ by electronic Raman scattering (ERS) and angle-resolved photoemission spectroscopy (ARPES) on the same single crystals. Using both techniques we find that,…

Special optical structures composed of superconducting nanostructure based on the elemental type-II and layered high-Tc superconductors are proposed. The photonic band structure and the optical S-matrix are calculated for these proposed…

We propose a two-dimensional crystal which possesses low indirect band gaps of 0.55 eV (monolayer) and 0.43 eV (bilayer) and high carrier mobilities similar to those of phosphorene: GeP3. GeP3 has a stable three-dimensional layered bulk…

We have performed ab-initio calculations using plane-wave ultraviolet pseudopotential technique based on the density-functional theory (DFT) to study the structural, mechanical, electronic, optical and thermodynamic properties of…

Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character…

Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…

We present high-resolution echelle spectroscopic observations of the two near- infrared (NIR) Diffuse Interstellar Bands (DIBs) at 13175 A and 11797.5 A. The DIBs have been observed in a number of diffuse interstellar medium sightlines that…

Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…

We present a real-space formulation for calculating the electronic structure and optical conductivity of such random alloys based on the Kubo-Greenwood formalism interfaced with the augmented space recursion (ASR) [A. Mookerjee, J. Phys. C:…

We present the results of fully-relaxed, full-potential electronic structure calculations for the new superconductor MgB2, and BeB2, NaB2, and AlB2, using density-functional-based methods. Our results described in terms of (i) density of…