78 citations · 320 across the 18 of their papers we have counts for
18 papers
Quantum Confinement of Electron-Phonon Coupling in Graphene Quantum Dots
Marios Zacharias, Pantelis C. Kelires
On the basis of first-principles calculations and the special displacement method, we demonstrate the quantum confinement scaling law of the phonon-induced gap renormalization of g…
Multi-phonon diffuse scattering in solids from first-principles: Application to layered crystals and 2D materials
Marios Zacharias, Hélène Seiler, Fabio Caruso +4
Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal non-equilibrium dynamics of crystal lattice vibrations with full mome…
Efficient first-principles methodology for the calculation of the all-phonon inelastic scattering in solids
Marios Zacharias, Hélène Seiler, Fabio Caruso +4
Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as non-equilibrium states. A quantitativ…
Temperature dependence of the optical properties of silicon nanocrystals
Marios Zacharias, Pantelis C. Kelires
Silicon nanocrystals (SiNCs) have been under active investigation in the last decades and have been considered as a promising candidate for many optoelectronic applications includi…
Carbon-based nanostructured composite films: elastic, mechanical and optoelectronic properties derived from computer simulations
Maria Fyta, Christos Mathioudakis, Ioannis N. Remediakis +1
In this review, we present our recent computational work on carbon-based nanostructured composites. These materials consist of carbon crystallites embedded in an amorphous carbon m…
Reverse Hall-Petch effect in ultra nanocrystalline diamond
Ioannis N. Remediakis, Georgios Kopidakis, Pantelis C. Kelires
We present atomistic simulations for the mechanical response of ultra nanocrystalline diamond, a polycrystalline form of diamond with grain diameters of the order of a few nm. We c…