<i>Ab initio</i>calculation of phonon dispersions in semiconductors
The density-functional linear-response approach to lattice-dynamical calculations in semiconductors is presented in full detail. As an application, we calculate complete phonon ...
Publications
13 shownPhonons and related crystal properties from density-functional perturbation theory
This article reviews the current status of lattice-dynamical calculations in\ncrystals, using density-functional perturbation theory, with emphasis on the\nplane-wave pseudo-pot...
Green’s-function approach to linear response in solids
We present a new scheme to study the linear response of crystals which combines the advantages of the dielectric-matrix and supercell (``direct'') approaches yet avoids many of ...
<i>Ab initio</i>calculation of the macroscopic dielectric constant in silicon
We perform a first-principles calculation of the static dielectric constant of Si in the framework of density-functional theory. The only essential approximation used in this wo...
<i>Ab initio</i>calculation of phonon dispersions in II-VI semiconductors
The vibrational properties of ZnSe, ZnTe, CdSe, and CdTe are determined by density-functional perturbation theory. To this end we have generalized this method so as to explicitl...
<i>Ab initio</i>calculation of the low-frequency Raman cross section in silicon
The macroscopic polarizability of silicon is calculated from first principles as a function of the lattice distortion induced by a zone-center optical phonon. The electronic res...
Phonon dispersions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ga</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="italic">x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Al</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi mathvariant="normal">−</mml:mi><mml:mi mathvariant="italic">x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>As alloys
The vibrational properties of ${\mathrm{Ga}}_{\mathit{x}}$${\mathrm{Al}}_{1\mathrm{\ensuremath{-}}\mathit{x}}$As alloys have been studied using large supercells to simulate the ...
Elastic Constants of Crystals from Linear-Response Theory
We propose a new scheme to calculate the elastic constants of solids which is based on linear-response theory. Elastic constants are given directly by a single self-consistent c...
Theory of the Anomalous Rayleigh Dispersion at H/W(110) Surfaces
The nature of the anomalies observed in the helium-atom scattering (HAS) and electron energy-loss (EELS) spectra of hydrogenated W(110) surfaces is investigated by calculating t...
Phonon spectra of ultrathin GaAs/AlAs superlattices: An<i>ab initio</i>calculation
Phonon spectra of ultrathin (GaAs${)}_{\mathrm{n}}$(AlAs${)}_{\mathrm{n}}$ (001) superlattices are studied theoretically using linear-response density-functional techniques. Res...
High-pressure low-symmetry phases of cesium halides
In this article, the relative stability of different high-pressure phases of various cesium halides is studied from first principles and analyzed using the Landau theory of phas...
Nonlinear piezoelectricity in CdTe
Nonlinear piezoelectricity has recently been detected in strained-layer superlattices where CdTe is pseudomorphically grown along (111) on different materials. We investigate th...
Surface phonons and dipole activity of Si(111)2×1 from<i>ab</i><i>initio</i>calculations
We present a first-principles linear-response study of the phonon spectrum and dipole activity of the Si(111)2 x 1 surface. Our results are in good agreement with the experiment...
Frequent Co-Authors
Researcher Info
- h-index
- 13
- Publications
- 13
- Citations
- 14,490
- Institution
- Scuola Internazionale Superiore di Studi Avanzati
External Links
Identifiers
- ORCID
- 0000-0002-3508-6663
Impact Metrics
h-index
13
h-index: Number of publications with at least h citations each.