Optical spectra of ZnO in the far ultraviolet: First-principles calculations and ellipsometric measurements (Articolo in rivista)

Type
Label
  • Optical spectra of ZnO in the far ultraviolet: First-principles calculations and ellipsometric measurements (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.81.125207 (literal)
Alternative label
  • Gori P.1,2,6; Rakel M.3; Cobet C.4; Richter W.5; Esser N.3,4; Hoffmann A.3; Del Sole R.2,5,6; Cricenti A.1,6; Pulci O.2,5,6 (2010)
    Optical spectra of ZnO in the far ultraviolet: First-principles calculations and ellipsometric measurements
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Gori P.1,2,6; Rakel M.3; Cobet C.4; Richter W.5; Esser N.3,4; Hoffmann A.3; Del Sole R.2,5,6; Cricenti A.1,6; Pulci O.2,5,6 (literal)
Pagina inizio
  • 125207 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 81 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • http://dx.doi.org/10.1103/PhysRevB.81.125207 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 12 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1 Consiglio Nazionale delle Ricerche, Istituto di Struttura della Materia, via Fosso del Cavaliere 100, 00133 Rome, Italy; 2 European Theoretical Spectroscopy Facility (ETSF), Rome, Italy; 3 Institut für Festkörperphysik, Technische Universität Berlin, 10623 Berlin, Germany; 4 Department Berlin, Institute for Analytical Sciences (ISAS), 12489 Berlin, Germany; 5 CNR-INFM-SMC, Dipartimento di Fisica, Università di “Tor Vergata,” via della Ricerca Scientifica 1, 00133 Rome, Italy; 6 NAST, Rome, Italy (literal)
Titolo
  • Optical spectra of ZnO in the far ultraviolet: First-principles calculations and ellipsometric measurements (literal)
Abstract
  • We present ellipsometry data of the dielectric function of wurtzite ZnO in a wide energy range (2.5-32 eV). The ordinary and extraordinary components show a strong anisotropy above 10 eV, a feature for which ZnO deviates from the other II-VI wurtzite compounds. With the aid of ab initio calculations, performed within many-body perturbation theory (MBPT) and within time-dependent density-functional theory (TDDFT), we analyze the origin of the measured optical structures. TDDFT, with the use of a static long-range exchange-correlation kernel, proves to be a cheaper computational tool than MBPT to yield a good description of the whole spectrum. Theoretical results for the zinc-blende phase are also presented. (literal)
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