Related papers: First-principles theory of low-energy electron dif…
A recently proposed step-by-step procedure, to merge the low-energy physics of the $\pi$-bonds electrons of graphene, and quantum field theory on curved spacetimes, is recalled. The last step there is the proposal of an experiment to test a…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
A quantitative and predictive theory of quantum light-matter interactions in ultra thin materials involves several fundamental challenges. Any realistic model must simultaneously account for the ultra-confined plasmonic modes and their…
Theoretical study of arrays of graphene ribbons is currently of high interest due to its potential application in beam splitters, absorbers, and polarizers. In this paper, an analytical method is presented for diffraction analysis of…
We analyze the features of the graphene mono- and multilayer reflectance in the far-infrared region as a function of frequency, temperature, and carrier density taking the intraband conductance and the interband electron absorbtion into…
We study theoretically the effects of short-range electron-electron interactions on the electronic structure of graphene, in the presence of single substitutional impurities. Our computational approach is based on the $\pi$ orbital…
We present a detailed calculation of intensities of two-phonon and four-phonon Raman peaks in graphene. Writing the low-energy hamiltonian of the interaction of electrons with the crystal vibrations and the electromagnetic field from pure…
An efficient mixed deterministic/sparse-stochastic plane-wave approach is developed for bandstructure calculations of large supercell periodic generalized-Kohn-Sham density functional theory, for any hybrid-exchange density functional. The…
A thorough understanding of the electronic structure is a necessary first step for the design of nanoelectronics, chemical/bio-sensors, electrocatalysts, and nanoplasmonics using graphene. As such, theoretical spectroscopic techniques to…
In this paper we present generic properties of quantum transport in mono-layer graphene. In the scheme of the Kubo-Geenwood formula, we compute the square spreading of wave packets of a given energy with is directly related to conductivity.…
Images are the standard input for vision algorithms, but one-shot infield reflectance measurements are creating new opportunities for recognition and scene understanding. In this work, we address the question of what reflectance can reveal…
Exerting well-defined control over the reflection $(R)$, absorption $(A)$, and transmission $(T)$ of electromagnetic waves is a key objective in quantum optics. To this end, one often utilizes hybrid structures comprised of elements with…
Based on extensive first principle calculations, we explore the thickness dependent effective di- electric constant and slab polarizability of few layer black phosphorene. We find that the dielectric constant in ultra-thin phosphorene is…
The Raman shift, broadening, and relative Raman intensities of bilayer graphene are computed as functions of the electron concentration. We include dynamic effects for the phonon frequencies and we consider the gap induced in the band…
We systematically study the fluorescence of low density Frenkel excitons in a crystal slab containing $N_T$ V-type three-level atoms. Based on symmetric quasi-spin realization of SU(3) in large $N$ limit, the two-mode exciton operators are…
A finite element-based modal formulation of diffraction of a plane wave by an absorbing photonic crystal slab of arbitrary geometry is developed for photovoltaic applications. The semi-analytic approach allows efficient and accurate…
Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory which accounts for the hard-sphere repulsion of the segments and on the Wertheim first-order perturbation theory for…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
We investigate the reflectance of a dielectric plate coated with a graphene sheet which possesses the nonzero energy gap and chemical potential at any temperature. The general formalism for the reflectance using the polarization tensor is…
When a plasma sheath forms next to a dielectric wall, material properties determine electron absorption and reflection from the surface, impacting the sheath formation and structure. The low energy regime of this interaction is often not…