Quantitative local environment characterization in amorphous oxides (Articolo in rivista)

Type
Label
  • Quantitative local environment characterization in amorphous oxides (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.81.014210 (literal)
Alternative label
  • Amezaga, Alexis; Holmstroem, Erik; Lizarraga, Raquel; Menendez-Proupin, Eduardo; Bartolo-Perez, P.; Giannozzi, Paolo (2010)
    Quantitative local environment characterization in amorphous oxides
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Amezaga, Alexis; Holmstroem, Erik; Lizarraga, Raquel; Menendez-Proupin, Eduardo; Bartolo-Perez, P.; Giannozzi, Paolo (literal)
Pagina inizio
  • 014210 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://dx.doi.org/10.1103/PhysRevB.81.014210 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 81 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 6 (literal)
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Instituto de Matemáticas, Facultad de Ciencias, Universidad Austral de Chile, Casilla, Valdivia, Chile Departamento de Física, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, 780-0024 Ñuñoa, Santiago, Chile Instituto de Física, Facultad de Ciencias, Universidad Austral de Chile, Casilla 567, Valdivia, Chile Departamento de Física Aplicada, CINVESTAV-IPN, Unidad Mérida, A.P. 73 Cordemex, 97310 Mérida, Yucatan, México Department of Physics, University of Udine, via delle Scienze 208, I-33100 Udine, Italy CNR-INFM DEMOCRITOS National Simulation Center, I-34014 Trieste, Italy (literal)
Titolo
  • Quantitative local environment characterization in amorphous oxides (literal)
Abstract
  • We perform density-functional-theory calculations of electronic core levels to obtain the tellurium x-ray photoelectron spectra in the amorphous solar-energy materials CdTeO?, x=0.2, 1, 2, and 3?. We quantify the distribution of local tellurium environments that sum up to the total two-peak structure in the experimental spectrum. The general trend is that the more oxygen neighbors tellurium has the bigger the shift of its core-level energy. However, due to the structural complexity, the relation between the core-level shift and the number of oxygen neighbors does not obey simple rules. Hence, we show the importance of computer simulations when interpreting x-ray photoelectron spectra in this system, in particular, and amorphous oxides in general. (literal)
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