733 citations · 8.4k across the 187 of their papers we have counts for
10 papers · 2 filters
Ballistic conductance of Ni nanowire with a magnetization reversal
A. Smogunov, A. Dal Corso, E. Tosatti
The approach proposed by Choi and Ihm for calculating the ballistic conductance of open quantum systems is generalized to deal with magnetic transition metals. The method has been…
Electron-phonon interaction at the Be(0001) surface
A. Eiguren, S. de Gironcoli, E. V. Chulkov +2
We present a first principle study of the electron-phonon (e-p) interaction at the Be(0001) surface. The real and imaginary part of the e-p self energy are calculated for the surfa…
Theoretical Fluctuations of Conductance in Stretched Monatomic Nanowire
F. Picaud, V. Pouthier, C. Girardet +1
Recent experiments showed that the last, single channel conductance step in monatomic gold contacts exhibits significant fluctuations as a function of stretching. From simulations…
Magnetism in Atomic-Sized Palladium Contacts and Nanowires
A. Delin, E. Tosatti, R. A. Weht
We have investigated Pd nanowires theoretically, and found that, unlike either metallic or free atomic Pd, they exhibit Hund's rule magnetism. In long, monoatomic wires, we find a…
Jahn-Teller Spectral Fingerprint in Molecular Photoemission: C60
Nicola Manini, Paolo Gattari, Erio Tosatti
The h_u hole spectral intensity for C60 -> C60+ molecular photoemission is calculated at finite temperature by a parameter-free Lanczos diagonalization of the electron-vibration Ha…
Magnetic phenomena in 5d transition metal nanowires
Anna Delin, Erio Tosatti
We have carried out fully relativistic full-potential, spin-polarized, all-electron density-functional calculations for straight, monatomic nanowires of the 5d transition and noble…
Complex Band Structures and Decay Length in Polyethylene Chains
Fabien Picaud, Alexander Smogunov, Andrea Dal Corso +1
The complex band structure of an isolated polyethylene chain is calculated within Density Functional Theory (DFT). A plane wave basis and ultrasoft pseudopotentials are used. The r…
Complex band structure with ultrasoft pseudopotentials: fcc Ni and Ni nanowire
A. Smogunov, A. Dal Corso, E. Tosatti
We generalize to magnetic transition metals the approach proposed by Choi and Ihm for calculating the complex band structure of periodic systems, a key ingredient for future calcul…
Comment to "Experimental Evidence of a Dynamic Jahn-Teller Effect in C60+"
Nicola Manini, Erio Tosatti
A recent Letter reports photoemission data for the free C60 molecule, showing an interesting three-peak structure, presented as evidence of dynamic Jahn-Teller (DJT) effect in the…
Boundary Lubrication: Squeeze-out Dynamics of a Compressible 2D Liquid
U. Tartaglino, B. N. J. Persson, A. I. Volokitin +1
The expulsion dynamics of the last liquid monolayer of molecules confined between two surfaces has been analyzed by solving the two-dimensional (2D) Navier-Stokes equation for a co…