Publications de Giorgia Fugallo

Advanced capabilities for materials modelling with QUANTUM ESPRESSO

Nicola Marzari, Oliviero Andreussi, Iurii Timrov, Nicola Colonna, Matteo Cococcioni, Ngoc Linh Nguyen, Lorenzo Paulatto, Andrea Floris, Riccardo Sabatini, Giorgia Fugallo

QUANTUM ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body per ...

Iop Publishing Ltd2017

First-principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, Sb2Te3, and Ge2Sb2Te5

Davide Campi, Giorgia Fugallo, Lorenzo Paulatto

Thermal transport is a key feature for the operation of phase change memory devices which rest on a fast and reversible transformation between the crystalline and amorphous phases of chalcogenide alloys upon Joule heating. In this paper we report on the ab ...

Amer Physical Soc2017

Phonon hydrodynamics in two-dimensional materials

Nicola Marzari, Andrea Cepellotti, Giorgia Fugallo, Lorenzo Paulatto

The conduction of heat in two dimensions displays a wealth of fascinating phenomena of key relevance to the scientific understanding and technological applications of graphene and related materials. Here, we use density-functional perturbation theory and a ...

Nature Publishing Group2015

Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths

Nicola Marzari, Andrea Cepellotti, Giorgia Fugallo, Lorenzo Paulatto

We characterize the thermal conductivity of graphite, monolayer graphene, graphane, fluorographane, and bilayer graphene, solving exactly the Boltzmann transport equation for phonons, with phononphonon collision rates obtained from density functional pertu ...

Amer Chemical Soc2014