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Breakdown of optical phonons' splitting in two-dimensional materials
Thibault Sohier, Marco Gibertini, Matteo Calandra +2
We investigate the long-wavelength dispersion of longitudinal and transverse optical phonon modes in polar two-dimensional materials, multilayers, and their heterostructures. Using…
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
Nicolas Mounet, Marco Gibertini, Philippe Schwaller +8
We search for novel two-dimensional materials that can be easily exfoliated from their parent compounds. Starting from 108423 unique, experimentally known three-dimensional compoun…
Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations
Thibault Sohier, Matteo Calandra, Francesco Mauri
We perform ab initio calculations of the coupling between electrons and small-momentum polar-optical phonons in monolayer transition metal dichalcogenides of the 2H type: MoS2, MoS…