Related papers: Dielectric function of the Si(113)3x2ADI surface f…
We investigated the stable silicon (113) surface with a 3x2ADI reconstruction by ab-initio methods. The ground state properties have been obtained using the density-functional theory. We present the dispersion of the electronic band…
The first-order, in terms of electron-interaction in the perturbation theory, of the proper linear response function $\Pi ({\bf k}, \omega )$ gives rise to the exchange-contribution to the dielectric function $\epsilon ({\bf k} , \omega)$…
We calculate the long-wavelength static screening properties of both neutral and doped graphene in the framework of density-functional theory. We use a plane-wave approach with periodic images in the third dimension and truncate the Coulomb…
The electromagnetic interaction between Ag nanoparticles on the top of the Si substrate and the incident light has been studied by numerical simulations. It is found that the presence of a dielectric layer with different thickness leads to…
We present absorption coefficient {\alpha}({\omega}), transverse dielectric function {\epsilon}({\omega}), optical conductivity {\sigma}({\omega}), and reflectance R({\omega}) calculated for an emeraldine salt conducting polymer in its…
Stepped well-ordered semiconductor surfaces are important as nanotemplates for the fabrication of one-dimensional nanostructures which are candidates of intriguing electronic properties. Therefore a detailed understanding of the underlying…
The optical properties of clusters with metallic spherical particles embedded in an insulating matrix are studied. A theoretical approach is proposed for the calculation of the macroscopic dielectric response for a collection of spheres at…
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local orbital density functional theory. By analyzing a slab model…
The band structure of (ZnxCd1-x)3P2 alloy system is considered within the framework of Kildal's band model. Frequency dependencies of real and imaginary parts of dielectric function were received and analyzed in terms of direct band to band…
A new real space quantum mechanical approach with local field effects included is applied to the calculation of the optical properties of silicon nanocrystals. Silicon ellipsoids are studied and the role of surface polarization is discussed…
Many physical quantities in solid-state physics are calculated from k-space summation. For spectral functions, the frequency-dependent factor can be decomposed into the energy-conserving delta function part and the nondissipative principal…
For a single crystal of TmGa3, two-dimensional angular correlation of positron annihilation radiation spectra were measured and subjected to a deconvolution algorithm based on the Van Citter iterative method. The three-dimensional…
Using the quasiparticle self-consistent GW (QSGW) and local-density (LD) approximations, we calculate the q-dependent static dielectric function, and derive an effective 2D dielectric function corresponding to screening of point charges. In…
The dispersion of the dielectric function for wurtzite InN is analytically evaluated in the region near the fundamental energy gap. The real part of the dielectric function has a logarithmic singularity at the absorption edge. This results…
In this paper we derive a formalism allowing us to separate inter-layer contributions to the polarizability of a periodic array of 2D materials from intra-layer ones. To this aim, effective profile functions are introduced. They constitute…
We compute the linear optical properties of different reconstructions of the clean and hydrogenated Si(100) surface within DFT-LDA, using norm-conserving pseudopotentials. The equilibrium atomic geometries of the surfaces, determined from…
A simple procedure is developed to simultaneously eliminate multiple scattering contributions from two reflection electron energy loss spectra (REELS) measured at different energies or for different experimental geometrical configurations.…
Luttinger semimetals are three-dimensional electron systems with a parabolic band touching and an effective total spin $J=3/2$. In this paper, we present an analytical theory of dielectric screening of inversion-symmetric Luttinger…
We present a combined study based on experimental measurements of infrared (IR) dielectric function and first-principles calculations of IR spectra and vibrational density of states (VDOS) of amorphous alumina (am-Al$_2$O$_3$). In…
We calculate the imaginary part of the frequency-dependent dielectric function of bulk silicon by applying time-dependent density-functional theory based on the exact-exchange (EXX) Kohn-Sham (KS) band structure and the adiabatic…