647 citations · 884 across the 21 of their papers we have counts for
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Origins of Pressure-Enhanced Thermal Transport in Organic Semiconductors
Lukas Legenstein, Sandro Wieser, Michele Simoncelli +1
While pressure is known to dramatically alter the electronic properties of organic semiconductors, its impact on their thermal conductivity remains poorly understood. We combine ma…
Thermal transport in crystals: from the quantum Dyson equation to mesoscopic phonon hydrodynamics
Enrico Di Lucente, Michele Simoncelli, Nicola Marzari
Thermal transport in dielectric, non-magnetic crystals is mediated by quantized lattice vibrations, which drift and interact when driven out of equilibrium by a temperature gradien…
Competition between local magnetic disorder and altermagnetism in doped FeSb
Enrico Di Lucente, Michele Simoncelli
Recent experimental reports suggest that the narrow-gap nonmagnetic semiconductor FeSb can be transformed into an altermagnetic metal through Co doping (CoFeS…
Lattice thermal transport from phonon spectra beyond perturbation theory
Zezhu Zeng, Michele Simoncelli, David E. Manolopoulos
We develop a molecular dynamics framework to compute the mode-resolved phonon spectral density from classical correlations of an annihilation-like phonon variable. For harmonic osc…
Phonon collisional broadening and heat transport beyond the Boltzmann equation
Enrico Di Lucente, Nicola Marzari, Michele Simoncelli
In crystals, macroscopic technological properties such as thermal conductivity originate from the microscopic drift and scattering of phonons, commonly described by the Boltzmann T…