224 citations · 1.1k across the 27 of their papers we have counts for
4 papers · 1 filter
Accessing the anisotropic non-thermal phonon populations in black phosphorus
Hélène Seiler, Daniela Zahn, Marios Zacharias +8
We combine femtosecond electron diffuse scattering experiments and first-principles calculations of the coupled electron-phonon dynamics to provide a detailed momentum-resolved pic…
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…
A machine learning route between band mapping and band structure
Rui Patrick Xian, Vincent Stimper, Marios Zacharias +9
Electronic band structure (BS) and crystal structure are the two complementary identifiers of solid state materials. While convenient instruments and reconstruction algorithms have…
Fully Anharmonic, Non-Perturbative Theory of Vibronically Renormalized Electronic Band Structures
Marios Zacharias, Matthias Scheffler, Christian Carbogno
We develop a first-principles approach for the treatment of vibronic interactions in solids that overcomes the main limitations of state-of-the-art electron-phonon coupling formali…