Characterization of Si-doped GaAs corss-sectional surfaces via ab-initio simulations (Articolo in rivista)

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Label
  • Characterization of Si-doped GaAs corss-sectional surfaces via ab-initio simulations (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.72.085341 (literal)
Alternative label
  • Xiangmei Duan 1,2; Maria Peressi 1,3; Stefano Baroni 1,4 (2005)
    Characterization of Si-doped GaAs corss-sectional surfaces via ab-initio simulations
    in Physical review. B, Condensed matter and materials physics; The American Physical Society, Ridge, NY (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Xiangmei Duan 1,2; Maria Peressi 1,3; Stefano Baroni 1,4 (literal)
Pagina inizio
  • 085341-(1- (literal)
Pagina fine
  • 5) (literal)
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  • http://link.aps.org/doi/10.1103/PhysRevB.72.085341 (literal)
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  • 72 (literal)
Rivista
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  • 5 (literal)
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  • 8 (literal)
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1) INFM-DEMOCRITOS National Simulation Center, Trieste, Italy; 2) Institute of Solid State Physics, Chinese Academy of Sciences, Hefei, People' Republic of China; 3) Dipartimento di Fisica Teorica, University of Trieste, Trieste, Italy; 4) Scuola Internazionale Superiore di Studi Avanzati, Trieste, Italy. (literal)
Titolo
  • Characterization of Si-doped GaAs corss-sectional surfaces via ab-initio simulations (literal)
Abstract
  • Si-doped (110) GaAs cross-sectional surfaces are investigated using first principles calculations with the aim of identifying simple configurations compatible with experimentally detected scanning tunneling microscopy (STM) images characterized by bright signals at negative bias and strongly attenuated when the bias is reversed. Since Si-donor is the most common defect in Si-doped GaAs, we study mainly several Si-donor based configurations, from the isolated impurity to extended defect configurations, up to the limit of an entire embedded donor interlayer. We consider also donor-acceptor configurations, stimulated by the experimental evidence of self-compensation effects in particular in highly doped samples. The systematic study of simulated cross-sectional STM images for all these and other configurations allows not only to identify the self-compensated donor-acceptor configurations as the simplest ones which are compatible with those experimental observations, but also to exclude most of the other candidates. (literal)
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