Electronic and optical properties of cadmium fluoride: The role of many-body effects (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Electronic and optical properties of cadmium fluoride: The role of many-body effects (Articolo in rivista) (literal)

Anno

• 2013-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1103/PhysRevB.87.075203 (literal)

Alternative label

• Cappellini, Giancarlo; Furthmueller, Juergen; Cadelano, Emiliano; Bechstedt, Friedhelm (2013)
  Electronic and optical properties of cadmium fluoride: The role of many-body effects
  in Physical review. B, Condensed matter and materials physics
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Cappellini, Giancarlo; Furthmueller, Juergen; Cadelano, Emiliano; Bechstedt, Friedhelm (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 87 (literal)

Rivista

• Physical review. B, Condensed matter and materials physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 9 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 7 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• University of Cagliari; Consiglio Nazionale delle Ricerche (CNR); ETSF; Friedrich Schiller University of Jena (literal)

Titolo

• Electronic and optical properties of cadmium fluoride: The role of many-body effects (literal)

Abstract

• Electronic excitations and optical spectra of CdF2 are calculated up to ultraviolet employing state-of-the-art techniques based on density functional theory and many-body perturbation theory. The GW scheme proposed by Hedin has been used for the electronic self-energy to calculate single-particle excitation properties as energy bands and densities of states. For optical properties many-body effects, treated within the Bethe-Salpeter equation framework, turn out to be crucial. A bound exciton located about 1 eV below the quasiparticle gap is predicted. Within the present scheme the optical absorption spectra and other optical functions show an excellent agreement with experimental data. Moreover, we tested different schemes to obtain the best agreement with experimental data. Among the several schemes, we suggest a self-consistent quasiparticle energy scheme. DOI: 10.1103/PhysRevB.87.075203 (literal)

Prodotto di

• MD.P06.014.001 Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.002) (Modulo)

Autore CNR

• GIANCARLO CAPPELLINI (Unità di personale esterno)

Incoming links:

Autore CNR di

• GIANCARLO CAPPELLINI (Unità di personale esterno)

Prodotto

• MD.P06.014.001 Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.002) (Modulo)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physical review. B, Condensed matter and materials physics (Rivista)