Sfoglia per Autore
Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: Application to platinum and palladium hydrides
2014-01-01 Errea, I.; Calandra, M.; Mauri, F.
Electron-phonon interactions and the intrinsic electrical resistivity of graphene
2014-01-01 Park, Cheol-Hwan; Bonini, Nicola; Sohier, Thibault; Samsonidze, Georgy; Kozinsky, Boris; Calandra, Matteo; Mauri, Francesco; Marzari, Nicola
Electronic and vibrational properties of TiSe2 in the charge-density-wave phase from first principles
2015-01-01 Bianco, R.; Calandra, M.; Mauri, F.
First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity
2015-01-01 Brumme, T.; Calandra, M.; Mauri, F.
Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe2 under pressure
2015-01-01 Leroux, M.; Errea, I.; Le Tacon, M.; Souliou, S. -M.; Garbarino, G.; Cario, L.; Bosak, A.; Mauri, F.; Calandra, M.; Rodiere, P.
Universal increase in the superconducting critical temperature of two-dimensional semiconductors at low doping by the electron-electron interaction
2015-01-01 Calandra, M.; Zoccante, P.; Mauri, F.
Density-functional calculation of static screening in two-dimensional materials: The long-wavelength dielectric function of graphene
2015-01-01 Sohier, T.; Calandra, M.; Mauri, F.
First-principles calculations of phonon frequencies, lifetimes, and spectral functions from weak to strong anharmonicity: The example of palladium hydrides
2015-01-01 Paulatto, L.; Errea, I.; Calandra, M.; Mauri, F.
Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs
2015-01-01 Sjakste, J.; Vast, N.; Calandra, M.; Mauri, F.
2D MATERIALS Charge density waves go nano
2015-01-01 Calandra Buonaura, Matteo
High-pressure hydrogen sulfide from first principles: A strongly anharmonic phonon-mediated superconductor
2015-01-01 Errea, I.; Calandra, M.; Pickard, C. J.; Nelson, J.; Needs, R. J.; Li, Y.; Liu, H.; Zhang, Y.; Ma, Y.; Mauri, F.
Evidence for flat bands near the Fermi level in epitaxial rhombohedral multilayer graphene
2015-01-01 Pierucci, D.; Sediri, H.; Hajlaoui, M.; Girard, J. -C.; Brumme, T.; Calandra, M.; Velez-Fort, E.; Patriarche, G.; Silly, M. G.; Ferro, G.; Souliere, V.; Marangolo, M.; Sirotti, F.; Mauri, F.; Ouerghi, A.
Spin susceptibility and electron-phonon coupling of two-dimensional materials by range-separated hybrid density functionals: Case study of LixZrNCl
2016-01-01 Pamuk, B.; Baima, J.; Dovesi, R.; Calandra, M.; Mauri, F.
Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations
2016-01-01 Sohier, T.; Calandra, M.; Mauri, F.
Formation of hot-electron ensembles quasiequilibrated in momentum space by ultrafast momentum scattering of highly excited hot electrons photoinjected into the Γ valley of GaAs
2016-01-01 Tanimura, H.; Kanasaki, J.; Tanimura, K.; Sjakste, J.; Vast, N.; Calandra, M.; Mauri, F.
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
2016-01-01 Errea, I.; Calandra, M.; Pickard, C. J.; Nelson, J. R.; Needs, R. J.; Li, Y.; Liu, H.; Zhang, Y.; Ma, Y.; Mauri, F.
Anharmonic enhancement of superconductivity in metallic molecular Cmca - 4 hydrogen at high pressure: A first-principles study
2016-01-01 Borinaga, M.; Riego, P.; Leonardo, A.; Calandra, M.; Mauri, F.; Bergara, A.; Errea, I.
Anharmonic effects in atomic hydrogen: Superconductivity and lattice dynamical stability
2016-01-01 Borinaga, M.; Errea, I.; Calandra, M.; Mauri, F.; Bergara, A.
Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer
2016-01-01 Pierucci, D.; Brumme, T.; Girard, J. -C.; Calandra, M.; Silly, M. G.; Sirotti, F.; Barbier, A.; Mauri, F.; Ouerghi, A.
Dissociation products and structures of solid H2 S at strong compression
2016-01-01 Li, Y.; Wang, L.; Liu, H.; Zhang, Y.; Hao, J.; Pickard, C. J.; Nelson, J. R.; Needs, R. J.; Li, W.; Huang, Y.; Errea, I.; Calandra, M.; Mauri, F.; Ma, Y.
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