Francesco Mauri | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects	PHYSICAL REVIEW. B	2018
Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation	PHYSICAL REVIEW. B	2018
Flat electronic bands in long sequences of rhombohedral-stacked graphene	PHYSICAL REVIEW. B	2018
Field-effect-driven half-metallic multilayer graphene	PHYSICAL REVIEW. B	2018
Exchange Enhancement of the Electron - Phonon Interaction: The Case of Weakly Doped Two-Dimensional Multivalley Semiconductors	JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN	2018
Hydrodynamic Heat Transport Regime in Bismuth: A Theoretical Viewpoint	PHYSICAL REVIEW LETTERS	2018
Critical role of the exchange interaction for the electronic structure and charge-density-wave formation in TiSe2	PHYSICAL REVIEW LETTERS	2017
First-principles calculation of lattice thermal conductivity in crystalline phase change materials: GeTe, Sb2Te3, and Ge2Sb2Te5	PHYSICAL REVIEW. B	2017
Second-order structural phase transitions, free energy curvature, and temperature-dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation	PHYSICAL REVIEW. B	2017
Breakdown of optical phonons' splitting in two-dimensional materials	NANO LETTERS	2017
X-ray magnetic and natural circular dichroism from first principles: Calculation of K- and L-1-edge spectra	PHYSICAL REVIEW. B	2017
Anharmonicity and the isotope effect in superconducting lithium at high pressures: a first-principles approach	PHYSICAL REVIEW. B	2017
Advanced capabilities for materials modelling with QUANTUM ESPRESSO	JOURNAL OF PHYSICS. CONDENSED MATTER	2017
Density functional perturbation theory for gated two-dimensional heterostructures: theoretical developments and application to flexural phonons in graphene	PHYSICAL REVIEW. B	2017
High-T-c superconductivity in weakly electron-doped HfNCl	PHYSICAL REVIEW. B	2017
Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles	PHYSICAL REVIEW. B	2017
First-principles determination of the Raman fingerprint of rhombohedral graphite	PHYSICAL REVIEW MATERIALS	2017
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system	NATURE	2016
Nanoscale mechanisms for the reduction of heat transport in bismuth	PHYSICAL REVIEW. B	2016
Formation of hot-electron ensembles quasiequilibrated in momentum space by ultrafast momentum scattering of highly excited hot electrons photoinjected into the Gamma valley of GaAs	PHYSICAL REVIEW. B	2016

Progetti di Ricerca

An Infrared-Raman spectrometer for materials, molecules and artworks