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Transport Waves as Crystal Excitations
Andrea Cepellotti, Nicola Marzari
We introduce the concept of transport waves by showing that the linearized Boltzmann transport equation admits excitations in the form of waves that have well defined dispersion re…
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…
Thermal transport in crystals as a kinetic theory of relaxons
Andrea Cepellotti, Nicola Marzari
Thermal conductivity in dielectric crystals is the result of the relaxation of lattice vibrations described by the phonon Boltzmann transport equation. Remarkably, an exact microsc…