Related papers: Optical properties of cubic and rhombohedral GeTe
The structural, cohesive, electronic and optical properties of mixed SiGe:H quantum dots are studied by Density Functional Theory (DFT) calculations on a representative ensemble of medium size nanoparticles of the form…
The valence band (VB) structure of an Al0.5TiZrPdCuNi high-entropy alloy (HEA) obtained from X-ray photoelectron spectroscopy has been compared to that recently calculated by Odbadrakh et al, 2019. Both experimental and theoretical VBs show…
We report a new biphasic crystalline wurtzite/zinc-blende homostructure in gallium nitride nanowires. Cathodoluminescence was used to quantitatively measure the wurtzite and zinc-blende band gaps. High resolution transmission electron…
Ge2Sb2Te5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long…
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…
First principles studies of multiferroic materials, such as bismuth ferrite (BFO), require methods that extend beyond standard density functional theory (DFT). The DFT+U method is one such extension that is widely used in the study of BFO.…
Bi2Se3 is a prototypical topological insulator which has a small band gap (~0.3 eV) and topologically protected conducting surface states. This material exhibits quite strong thermoelectric effects. Here we show in a mechanically exfoliated…
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…
Complex materials encompassing different phases of matter can display new photoinduced metastable states differing from those attainable under equilibrium conditions. These states can be realized when energy is injected in the material…
The radiative instability of the relativistic electron beam in a periodic dielectric-filled cylindrical waveguide is considered. The dependence of the beam instability increment on the radiated wave frequency near the region of dispersion…
We have systematically investigated the effect of oxidation on the structural and electronic properties of graphene based on first-principles calculations. Energetically favorable atomic configurations and building blocks are identified,…
The purpose of this work was to calculate the electronic band structure of Cd$_{1-x}$Fe$_x$Se. Ab-initio, calculations are performed in the Atomistix Toolkit program within the Density Functional Theory and Local Spin Density Approximation…
The electronic band structure of Na$_{2}$KSb was studied by a combination of low-energy photoemission spectroscopy and density functional theory (DFT) calculations. The optical and photoemission quantum efficiency (QE) spectra, along with…
We compute the optical conductivity for an out-of-plane deformation in graphene using an approach based on solutions of the Dirac equation in curved space. Different examples of periodic deformations along one direction translates into an…
Electronic, optical and transport properties of the graphene/ZnO heterostructure have been explored using first-principles density functional theory. The results show that Zn12O12 can open a band gap of 14.5 meV in graphene, increase its…
In view of promising applications of fractal nanostructures, we analyze the spectra of quantum particles in the Sierpinski carpet and study the non-correlated electron gas in this geometry. We show that the spectrum exhibits scale…
CONTENTS. 1.Introduction, 1.1 QCD ideas to be tested; 2. Coherence phenomena in QED, 2.1 Charge transparency, 2.2 Charge filtering, 2.3 Charge opacity; 3. Color transparency in perturbative QCD, 3.1 Coherence length in QCD, 3.2 Bjorken…
Highly luminescent ZnO:Na nanocrystals of size ~2 nm were synthesized using a improved sol-lyophilization process. The surface analysis such as survey scan, core-level and valence band spectra of ZnO:Na nanocrystals were studied using x-ray…
We compute the electronic band structure and optical properties of boron arsenide using the relativistic quasiparticle self-consistent $GW$ approach, including electron-hole interactions through solution of the Bethe-Salpeter equation. We…
We report the in-plane optical measurements on Na$_x$CoO$_2$ with 0.18$\leq$x$\leq$0.92. The crystal growth and characterization were described in detail. The spectral weight increases monotonically with decreasing x. For sample with the…