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

10.1k citations

Showing 2002 · cond-mat.mtrl-sciShow all

16 papers · 2 filters

cond-mat.mtrl-sci2002★ 5 cited

Near-field light emission from nano- and micrometric complex structures

M. Pieruccini, S. Savasta, R. Girlanda +2

We propose a general theoretical scheme for the investigation of light emitted from nano- and micrometric structures of arbitrary shape and composition. More specifically, the prop…

cond-mat.mtrl-sci2002★ 2 cited

Anharmonic Self-Energy of Phonons: Ab Initio Calculations and Neutron Spin Echo Measurements

A. Debernardi, F. de Geuser, J. Kulda +2

We have calculated (ab initio) and measured (by spin-echo techniques) the anharmonic self-energy of phonons at the X-point of the Brillouin zone for isotopically pure germanium. Th…

cond-mat.mtrl-sci2002★ 33 cited

Quantum size effects in the low temperature layer-by-layer growth of Pb on Ge(001)

L. Floreano, D. Cvetko, F. Bruno +5

The electronic properties of thin metallic films deviate from the corresponding bulk ones when the film thickness is comparable with the wavelength of the electrons at the Fermi le…

cond-mat.mtrl-sci2002★ 3 cited

Surface magnetic canting in a ferromagnet

P. Betti, M. G. Pini, A. Rettori

The surface magnetic canting (SMC) of a semi-infinite film with ferromagnetic exchange interaction and competing bulk and surface anisotropies is investigated via a nonlinear mappi…

cond-mat.mtrl-sci2002★ 11 cited

Irreversible nucleation in molecular beam epitaxy: From theory to experiments

Paolo Politi, Claudio Castellano

Recently, the nucleation rate on top of a terrace during the irreversible growth of a crystal surface by MBE has been determined exactly. In this paper we go beyond the standard mo…

cond-mat.mtrl-sci2002★ 24 cited

Accurate first principles detailed balance determination of Auger recombination and impact ionization rates in semiconductors

S. Picozzi, R. Asahi, C. B. Geller +1

The technologically important problem of predicting Auger recombination lifetimes in semiconductors is addressed by means of a fully first--principles formalism. The calculations e…

cond-mat.mtrl-sci2002★ 98 cited

Dipolar interaction between two-dimensional magnetic particles

Paolo Politi, Maria Gloria Pini

We determine the effective dipolar interaction between single domain two-dimensional ferromagnetic particles (islands or dots), taking into account their finite size. The first cor…

cond-mat.mtrl-sci2002★ 37 cited

Disproportionation Phenomena on Free and Strained Sn/Ge(111) and Sn/Si(111) Surfaces

G. Ballabio, G. Profeta, S. de Gironcoli +3

Distortions of the Sn/Ge(111) and Sn/Si(111) surfaces are shown to reflect a disproportionation of an integer pseudocharge, , related to the surface band oc…

cond-mat.mtrl-sci2002★ 22 cited

Exciton-exciton interaction engineering in coupled GaN quantum dots

Sergio De Rinaldis, Irene D'Amico, Fausto Rossi

We present a fully three-dimensional study of the multiexciton optical response of vertically coupled GaN-based quantum dots via a direct-diagonalization approach. The proposed ana…

cond-mat.mtrl-sci2002★ 13 cited

Symmetry breaking and restoring under high pressure: the amazing behaviour of the "simple" alkali metals

G. G. N. Angilella, F. Siringo, R. Pucci

We argue that an ionic lattice surrounded by a Fermi liquid changes phase several times under pressure, oscillating between the symmetric phase and a low-symmetry dimerized structu…

cond-mat.mtrl-sci2002★ 2 cited

Spectral Properties of the Su-Schrieffer-Heeger Model

Marco Zoli

We present a study of the one dimensional Su-Schrieffer-Heeger model Hamiltonian by a diagrammatic perturbative method in the weak electron-phonon coupling regime. Exact computatio…

cond-mat.mtrl-sci2002★ 152 cited

Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals

S. Koval, J. Kohanoff, R. L. Migoni +1

Based on an accurate first principles description of the energetics in H-bonded KDP, we conduct a first study of nuclear quantum effects and of the changes brought about by deutera…

cond-mat.mtrl-sci2002★ 48 cited

Structural relaxation of E' gamma centers in amorphous silica

S. Agnello, R. Boscaino, G. Buscarino +2

We report experimental evidence of the existence of two variants of the E' gamma centers induced in silica by gamma rays at room temperature. The two variants are distinguishable b…

cond-mat.mtrl-sci2002★ 150 cited

First-principles calculation of the piezoelectric tensor d of III-V nitrides

F. Bernardini, V. Fiorentini

We report direct first-principles density-functional calculations of the piezoelectric tensor $\tensor{d}$ relating polarization to applied stress for the binary compounds AlN, GaN…

cond-mat.mtrl-sci2002

A positron study of the Fermi surface of TmGa3

M. Biasini, A. Czopnik, A. Jura +2

For a single crystal of TmGa3, two-dimensional angular correlation of positron annihilation radiation spectra were measured and subjected to a deconvolution algorithm based on the…

cond-mat.mtrl-sci2002★ 108 cited

Structural transformation induced by magnetic field and colossal magnetoresistance response above 313 K in MnAs

J. Mira, F. Rivadulla, J. Rivas +5

MnAs exhibits a first-order phase transition from a ferromagnetic, high-spin metal NiAs-type hexagonal phase to a paramagnetic, lower-spin insulator MnP-type orthorhombic phase at…