Francesco Mauri | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
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
Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect	PHYSICAL REVIEW. B	2016
Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer	SCIENTIFIC REPORTS	2016
Predicting the thermal conductivity in a graphene nanoflake from its response to a thermal impulse	PHYSICAL REVIEW. B	2016
Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability	PHYSICAL REVIEW. B	2016
Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of LixZrNCl	PHYSICAL REVIEW. B	2016
Two-dimensional Frohlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations	PHYSICAL REVIEW. B	2016
Anharmonic enhancement of superconductivity in metallic molecular Cmca-4 hydrogen at high pressure: a first-principles study	JOURNAL OF PHYSICS. CONDENSED MATTER	2016
Dissociation products and structures of solid H2S at strong compression	PHYSICAL REVIEW. B	2016

Progetti di Ricerca

An Infrared-Raman spectrometer for materials, molecules and artworks