10.1k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Sapienza University of RomeIT156 papers
- Scuola Internazionale Superiore di Studi AvanzatiIT146 papers
- University of InsubriaIT88 papers
- University of MilanIT85 papers
- University of TrentoIT85 papers
- Politecnico di TorinoIT78 papers
- University of FlorenceIT74 papers
- University of GenoaIT69 papers
- Centre National de la Recherche ScientifiqueFR65 papers
- The Abdus Salam International Centre for Theoretical Physics (ICTP)IT65 papers
- National Research CouncilLK58 papers
- University of SalernoIT56 papers
15 papers · 2 filters
Surface defreezing of glasses
E. A. Jagla, E. Tosatti
A glass surface may still flow below the bulk glass transition temperature, where the underlying bulk is frozen. Assuming the existence at T=T* of a bulk thermodynamical glass tran…
A study of the mechanisms of the semi-insulating conversion of InP by anelastic spectroscopy
R. Cantelli, F. Cordero, O. Palumbo +4
Elastic energy absorption measurements versus temperature on semiconducting, semi-insulating (SI) and Fe-doped InP are reported. A thermally activated relaxation process is found o…
Dipole-quadrupole interactions and the nature of phase III of compressed hydrogen
Jorge Kohanoff, Sandro Scandolo, Stefano de Gironcoli +1
A new class of strongly infrared active structures is identified for phase III of compressed molecular H2 by constant-pressure ab initio molecular dynamics and density-functional p…
Spontaneous vs. piezoelectric polarization in III-V nitrides: conceptual aspects and practical consequences
Fabio Bernardini, Vincenzo Fiorentini
Macroscopic polarization plays a major role in determining the optical and electrical properties of nitride nanostructures via polarization-induced built-in electrostatic fields. W…
Polarization fields in nitride nanostructures: ten points to think about
Fabio Bernardini, Vincenzo Fiorentini
Macroscopic polarization, both of intrinsic and piezoelectric nature, is unusually strong in III-V nitrides, and the built in electric fields in the layers of nitride-based nanostr…
Crystal symmetry, step-edge diffusion and unstable growth
Paolo Politi, Joachim Krug
We study the effect of crystal symmetry and step-edge diffusion on the surface current governing the evolution of a growing crystal surface. We find there are two possible contribu…
Theory and applications of the stress density
Alessio Filippetti, Vincenzo Fiorentini
Drawing on the theory of quantum mechanical stress, we introduce the stress density in density functional theory. In analogy with the Chetty-Martin energy density, the stress densi…
Enhancement of Coulomb interactions in semiconductor nanostructures by dielectric confinement
G. Goldoni, F. Rossi, A. Orlandi +3
We present a theoretical analysis of the effect of dielectric confinement on the Coulomb interaction in dielectrically modulated quantum structures. We discuss the implications of…
Floating bonds and gap states in a-Si and a-Si:H from first principles calculations
M. Fornari, M. Peressi, S. de Gironcoli +1
We study in detail by means of ab-initio pseudopotential calculations the electronic structure of five-fold coordinated (T_5) defects in a-Si and a-Si:H, also during their formatio…
Coordination defects in a-Si and a-Si:H : a characterization from first principles calculations
M. Peressi, M. Fornari, S. de Gironcoli +2
We study by means of first-principles pseudopotential method the coordination defects in a-Si and a-Si:H, also in their formation and their evolution upon hydrogen interaction. An…
Quasi-harmonic vs. ``exact'' surface free energies of Al: a systematic study employing a new interatomic potential
U. Hansen, P. Vogl, V. Fiorentini
We discuss a computationally efficient classical many-body potential designed to model the Al-Al interaction in a wide range of bonding geometries. We show that the potential yield…
Effects of macroscopic polarization in III-V nitride multi-quantum-wells
V. Fiorentini, F. Bernardini, F. Della Sala +2
Huge built-in electric fields have been predicted to exist in wurtzite III-V nitrides thin films and multilayers. Such fields originate from heterointerface discontinuities of the…
DOF phase separation of the Lennard-Jones fcc(111) surface
C. S. Jayanthi, Franck Celestini, Furio Ercolessi +1
Recent lattice model calculations have suggested that a full-layered crystal surface may undergo, under canonical (particle-conserving) conditions, a preroughening-driven two-dimen…
Double photo-ionization of He near a polarizable surface
G. Goldoni
We calculate the differential cross-section of the direct double photo-ionization of He physisorbed on a polarizable surface. By including the influence of the surface potential in…
Surface Reconstructions and Bonding via the Electron Localization Function: The Case of Si(001)
L. De Santis, R. Resta
The bonding pattern of a covalent semiconductor is disrupted when a surface is cut while keeping a rigid (truncated bulk) geometry. The covalent bonds are partly reformed (with a s…