output
19942026
most citedPhonons and related properties of extended systems from density-functional perturbation theory

10.1k citations

Showing 2004 · cond-mat.mtrl-sciShow all

13 papers · 2 filters

cond-mat.mtrl-sci2004★ 92 cited

Spin dynamics of heterometallic Cr7M wheels (M = Mn, Zn, Ni) probed by inelastic neutron scattering

R. Caciuffo, T. Guidi, G. Amoretti +7

Inelastic neutron scattering has been applied to the study of the spin dynamics of Cr-based antiferromagnetic octanuclear rings where a finite total spin of the ground state is obt…

cond-mat.mtrl-sci2004★ 22 cited

The inelastic hard dimer gas: a non-spherical model for granular matter

Giulio Costantini, Umberto Marini Bettolo Marconi, Galina Kalibaeva +1

We study a two-dimensional gas of inelastic smooth hard dimers. Since the collisions between dimers are dissipative, being characterized by a coefficient of restitution , and…

cond-mat.mtrl-sci2004★ 3 cited

Enhancement of rare-earth--transition-metal exchange interaction in PrFe probed by inelastic neutron scattering

N. Magnani, S. Carretta, G. Amoretti +4

The fundamental magnetic interactions of PrFe are studied by inelastic neutron scattering and anisotropy field measurements. Data analysis confirms the presence of thr…

cond-mat.mtrl-sci2004★ 5 cited

Influence of hydrogen on paramagnetic defects induced by UV laser exposure in natural silica

F. Messina, M. Cannas, R. Boscaino

Diffusion limited reactions of point defects were investigated in amorphous SiO2 exposed to UV laser light. Electron spin resonance and in situ absorption measurements at room temp…

cond-mat.mtrl-sci2004★ 18 cited

In situ observation of the generation and annealing kinetics of E' centers induced in amorphous SiO2 by 4.7eV laser irradiation

F. Messina, M. Cannas

The kinetics of E' centers induced in silica by 4.7eV laser irradiation was investigated observing in situ their optical absorption band at 5.8 eV. After exposure the defects decay…

cond-mat.mtrl-sci2004★ 628 cited

Negative differential thermal resistance and thermal transistor

Baowen Li, Lei Wang, Giulio Casati

We report on the first model of a thermal transistor to control heat flow. Like its electronic counterpart, our thermal transistor is a three-terminal device with the important fea…

cond-mat.mtrl-sci2004★ 117 cited

First-principles characterization of ferromagnetic Mn5Ge3 for spintronic applications

S. Picozzi, A. Continenza, A. J. Freeman

In the active search for potentially promising candidates for spintronic applications, we focus on the intermetallic ferromagnetic Mn5Ge3 compound and perform accurate first-princi…

cond-mat.mtrl-sci2004★ 33 cited

Ab initio study of reflectance anisotropy spectra of a sub-monolayer oxidized Si(100) surface

Andrei Incze, Rodolfo Del Sole, Giovanni Onida

The effects of oxygen adsorption on the reflectance anisotropy spectrum (RAS) of reconstructed Si(100):O surfaces at sub-monolayer coverage (first stages of oxidation) have been st…

cond-mat.mtrl-sci2004★ 41 cited

Photoelasticity of sodium silicate glass from first principles

D. Donadio, M. Bernasconi, F. Tassone

Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition (NaO)(SiO) (NS…

cond-mat.mtrl-sci2004★ 84 cited

Phase diagram of silica from computer simulation

Ivan Saika-Voivod, Francesco Sciortino, Tor Grande +1

We evaluate the phase diagram of the ``BKS'' potential [Van Beest, Kramer and van Santen, Phys. Rev. Lett. 64, 1955 (1990)], a model of silica widely used in molecular dynamics (MD…

cond-mat.mtrl-sci2004★ 43 cited

Intrinsic electric field effects on few-particle interactions in coupled GaN quantum dots

Sergio De Rinaldis, Irene D'Amico, Fausto Rossi

We study the multi-exciton optical spectrum of vertically coupled GaN/AlN quantum dots with a realistic three-dimensional direct-diagonalization approach for the description of few…

cond-mat.mtrl-sci2004★ 5 cited

Particle In Cell Simulation of Combustion Synthesis of TiC Nanoparticles

G. Zuccaro, G. Lapenta, G. Maizza

A coupled continuum-discrete numerical model is presented to study the synthesis of TiC nanosized aggregates during a self-propagating combustion synthesis (SHS) process. The overa…

cond-mat.mtrl-sci2004★ 8 cited

Surfactant-like Effect and Dissolution of Ultrathin Fe Films on Ag(001)

S. Terreni, A. Cossaro, G. Gonella +8

The phase immiscibility and the excellent matching between Ag(001) and Fe(001) unit cells (mismatch 0.8 %) make Fe/Ag growth attractive in the field of low dimensionality magnetic…