<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
7 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...
<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...
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 ...
<i>Ab initio</i>phonon dispersions of Fe and Ni
We present the ab initio phonon dispersions of magnetic bcc Fe and fcc Ni. Our calculations are carried out in the framework of density functional perturbation theory (DFPT), us...
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...
<i>Ab initio</i> study of phonons in wurtzite AlxGa1−xN alloys
We present a theoretical study of the zone-center optical phonons in wurtzite AlxGa1−xN alloys over the whole compositional range from pure GaN to pure AlN. The phonon modes are...
Frequent Co-Authors
Researcher Info
- h-index
- 7
- Publications
- 7
- Citations
- 11,605
- Institution
- Scuola Internazionale Superiore di Studi Avanzati
External Links
Identifiers
- ORCID
- 0000-0002-2307-0998
Impact Metrics
h-index
7
h-index: Number of publications with at least h citations each.