1.4k citations · 2.7k across the 12 of their papers we have counts for
12 papers
Decoding the DC and optical conductivities of disordered MoS films: an inverse problem
F. R. Duarte, S. Mukim, A. Molina-Sánchez +2
To calculate the conductivity of a material having full knowledge of its composition is a reasonably simple task. To do the same in reverse, i.e., to find information about the com…
Spinorial formulation of the GW-BSE equations and spin properties of excitons in 2D Transition Metal Dichalcogenides
Margherita Marsili, Alejandro Molina-Sánchez, Maurizia Palummo +2
In many paradigmatic materials, like Transition Metal Dichalcogenides, the role played by the spin degrees of freedom is as important as the one played by the electron-electron int…
Excitons in few-layer hexagonal boron nitride: Davydov splitting and surface localization
Fulvio Paleari, Thomas Galvani, Hakim Amara +3
Hexagonal boron nitride (hBN) has been attracting great attention because of its strong excitonic effects. Taking into account few-layer systems, we investigate theoretically the e…
Vibrational and optical properties of MoS: from monolayer to bulk
Alejandro Molina-Sánchez, Kerstin Hummer, Ludger Wirtz
Molybdenum disulfide, MoS2, has recently gained considerable attention as a layered material where neighboring layers are only weakly interacting and can easily slide against each…
Excitons in boron nitride single layer
Thomas Galvani, Fulvio Paleari, Henrique Miranda +5
Boron nitride single layer belongs to the family of 2D materials whose optical properties are currently receiving considerable attention. Strong excitonic effects have already been…
Temperature dependent excitonic effects in the optical properties of single-layer MoS
Alejandro Molina-Sánchez, Maurizia Palummo, Andrea Marini +1
Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room t…
Screening of electron-phonon coupling in graphene on Ir(111)
M. Endlich, A. Molina-Sánchez, L. Wirtz +1
The phonon dispersion of graphene on Ir(111) has been determined by means of angle-resolved inelastic electron scattering and density functional calculations. Kohn anomalies of the…
Semiempirical pseudopotential approach for nitride-based nanostructures and {\it ab initio} based passivation of free surfaces
Alejandro Molina-Sánchez, Alberto García-Cristóbal, Gabriel Bester
We present a semiempirical pseudopotential method based on screened atomic pseudopotentials and derived from \textit{ab initio} calculations. This approach is motivated by the dema…
Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2
Alejandro Molina-Sánchez, Davide Sangalli, Kerstin Hummer +2
We present converged ab-initio calculations of the optical absorption spectra of single-layer, bi-layer, and bulk MoS. Both the quasiparticle-energy calculations (on the level…
Contribution of the buffer layer to the Raman spectrum of epitaxial graphene on SiC(0001)
F. Fromm, M. H. Oliveira, A. Molina-Sánchez +5
We report a Raman study of the so-called buffer layer with periodicity which forms the intrinsic interface structure between epitaxial graphene…
Dielectric screening of the Kohn anomaly of graphene on hexagonal boron nitride
F. Forster, A. Molina-Sanchez, S. Engels +5
Kohn anomalies in three-dimensional metallic crystals are dips in the phonon dispersion that are caused by abrupt changes in the screening of the ion-cores by the surrounding elect…
Phonons in single and few-layer MoS2 and WS2
A. Molina-Sánchez, L. Wirtz
We report ab-initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman active…