252 citations · 803 across the 17 of their papers we have counts for
17 papers
Low-Temperature Insulating Phase of the Si(111)--77 Surface
S. Modesti, P. M. Sheverdyaeva, P. Moras +5
We investigated the electronic structure of the Si(111)--77 surface below 20 K by scanning tunneling and photoemission spectroscopies and by density functional theory calcu…
Energy-momentum mapping of d-derived Au(111) states in a thin film
P. M. Sheverdyaeva, R. Requist, P. Moras +5
The quantum well states of a film can be used to sample the electronic structure of the parent bulk material and determine its band parameters. We highlight the benefits of two-dim…
Co adatoms on Cu surfaces: ballistic conductance and Kondo temperature
P. P. Baruselli, R. Requist, A. Smogunov +2
The Kondo zero bias anomaly of Co adatoms probed by scanning tunneling microscopy is known to depend on the height of the tip above the surface, and this dependence is different on…
Interaction of a CO molecule with a Pt monatomic wire: electronic structure and ballistic conductance
G. Sclauzero, A. Dal Corso, A. Smogunov +1
We carry out a first-principles density functional study of the interaction between a monatomic Pt wire and a CO molecule, comparing the energy of different adsorption configuratio…
Strongly Correlated Superconductivity
M. Capone, M. Fabrizio, C. Castellani +1
High temperature superconductivity in doped Mott insulators such as the cuprates contradicts the conventional wisdom that electron repulsion is detrimental to superconductivity. Be…
Surface molecular dynamics simulation with two orthogonal surface steps: how to beat the particle conservation problem
D. Passerone, U. Tartaglino, F. Ercolessi +1
Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. Howe…
Born Effective Charge Reversal and Metallic Threshold State at a Band Insulator-Mott Insulator Transition
N. Gidopoulos S. Sorella, E. Tosatti
We study the quantum phase transition between a band (``ionic'') insulator and a Mott-Hubbard insulator, realized at a critical value U=Uc in a bipartite Hubbard model with two ine…
Theory of the Metal-Paramagnetic Mott-Jahn-Teller Insulator Transition in A_4C_{60}
M. Capone, M. Fabrizio, P. Giannozzi +1
We study the unconventional insulating state in A_4C_{60} with a variety of approaches, including density functional calculations and dynamical mean-field theory. While the former…
SiC(0001): a surface Mott-Hubbard insulator
V. I. Anisimov, A. E. Bedin, M. A. Korotin +3
We present ab-initio electronic structure calculations for the Si-terminated SiC(0001) surface. While local density approximation (LDA) calculations predict…
Spin liquid ground state in a two dimensional non-frustrated spin model
G. Santoro, S. Sorella, L. Guidoni +2
We consider an exchange model describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic term on the square lattice. The model is relevant for systems with…
The Puzzling Stability of Monatomic Gold Wires
J. A. Torres, E. Tosatti, A. Dal Corso +4
We have examined theoretically the spontaneous thinning process of tip-suspended nanowires, and subsequently studied the structure and stability of the monatomic gold wires recentl…
Spin gap in low-dimensional Mott insulators with orbital degeneracy
L. Guidoni, G. Santoro, S. Sorella +2
We consider the exchange Hamiltonian H_ST = -J Sum_{<rr'>} (2 S_r S_r' - 1/2) (2 T_r T_r' - 1/2) describing two isotropic spin-1/2 Heisenberg antiferromagnets coupled by a quartic…
First Principles Calculations of Charge and Spin Density Waves of sqr3-Adsorbates on Semiconductors
S. Scandolo, F. Ancilotto, G. L. Chiarotti +3
We present ab-initio electronic structure results on the surface of sqr3 adsorbates. In particular, we address the issue of metal-insulator instabilities, charge-density-waves (CDW…
Interplay of Orbital Degeneracy and Superconductivity in a Molecular Conductor
Michele Fabrizio, Marco Airoldi, Erio Tosatti
We study electron propagation in a molecular lattice model. Each molecular site involves doubly degenerate electronic states coupled to doubly degenerate molecular vibration, leadi…
Maximum Overheating and Partial Wetting of Nonmelting Solid Surfaces
Francesco D. Di Tolla, Furio Ercolessi, Erio Tosatti
Surfaces which do not exhibit surface melting below the melting point (nonmelting surfaces) have been recently observed to sustain a very large amount of overheating. We present a…
Premelting of Thin Wires
O. Gulseren, F. Ercolessi, E. Tosatti
Recent work has raised considerable interest on the nature of thin metallic wires. We have investigated the melting behavior of thin cylindrical Pb wires with the axis along a (110…
Ultraviolet and soft X--ray photon--photon elastic scattering in an electron gas
R. Martoňák, E. Tosatti
We have considered the processes which lead to elastic scattering between two far ultraviolet or X--ray photons while they propagate inside a solid, modeled as a simple electron ga…