Related papers: First-principles study of excitonic effects in Ram…
Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order…
We present an ab initio computational approach for the calculation of resonant Raman intensities, including both excitonic and non-adiabatic effects. Our diagrammatic approach, which we apply to two prototype, semiconducting layered…
An ab initio approach to the calculation of excitonic effects in the optical absorption spectra of semiconductors and insulators is formulated. It starts from a quasiparticle bandstructure calculation and is based on the relevant…
We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of…
We study the effect of electron-electron interactions in the optical conductivity of graphene under applied bias and derive a generalization of Elliot's formula, commonly used for semiconductors, for the optical intensity. We show that {\it…
We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe$_2$. Raman intensities are computed entirely from first principles by calculating finite differences of the dielectric…
We model Raman processes in silicene and germanene involving scattering of quasiparticles by, either, two phonons, or, one phonon and one point defect. We compute the resonance Raman intensities and lifetimes for laser excitations between 1…
We present ab initio many-body calculations of the optical absorption in bulk graphite, graphene and bilayer of graphene. Electron-hole interaction is included solving the Bethe-Salpeter equation on top of a GW quasiparticle electronic…
We present a computational study of the two-phonon Raman spectra of silicene and graphene within a density-functional non-orthogonal tight-binding model. Due to the presence of linear bands close to the Fermi energy in the electronic…
The weakly screened electron-hole interactions in an atomically thin semiconductor not only downshift its excitation spectrum from a quasiparticle one, but also redistribute excitation energies and wavefunction characters with profound…
Excitonic polarons are quasiparticles formed by a Coulomb-bound electron-hole pair with strong coupling to lattice vibrations. Despite high fundamental interest in excitonic polarons, the experimental investigation of these particles…
Photonics caught world attention since channel capacity limit of metallic interconnects approached due to research and design in high speed digital processors. Use of dielectrics, instead, suitable for light propagation was more attractive…
We present first-principles calculations of many-electron effects on the optical response of graphene, bilayer graphene, and graphite employing the GW-Bethe Salpeter equation approach. We find that resonant excitons are formed in these…
Inelastic (Raman) light scattering intensities for a 42-electron quantum dot under off-resonance conditions and in different spin and angular momentum channels are computed in order to test whether final collective states become the…
An important issue in the study of the iron-arsenic based superconductors is the symmetry of the superconducting gap, a problem complicated by multiple gaps on different Fermi surface sheets. Electronic Raman scattering is a flexible bulk…
We demonstrate enhancements of Raman scattering from graphene on two-dimensional photonic crystals using double resonances, which originate from simultaneous enhancements by a localized guided mode and a cavity mode. By adjusting the…
Significant excitonic effects were observed in graphene by measuring its optical conductivity in a broad spectral range including the two-dimensional {\pi}-band saddle-point singularities in the electronic structure. The strong…
The resonance effects on the Raman spectra from 5 to 900 cm-1 of few-layer MoS2 thin films up to 14-layers were investigated by using six excitation energies. For the main first-order Raman peaks, the intensity maximum occurs at ~2.8 eV for…
Raman spectroscopic studies of graphene have attracted much interest. The G-band Raman intensity of a single layer graphene on Si substrate with 300 nm SiO2 capping layer is surprisingly strong and is comparable to that of bulk graphite. To…
A major obstacle for computing optical spectra of solids is the lack of reliable approximations for capturing excitonic effects within time-dependent density-functional theory. We show that the trustful prediction of strongly bound…