Piezoelectric properties of zinc oxide nanowires: an ab initio study (Articolo in rivista)

Type
Label
  • Piezoelectric properties of zinc oxide nanowires: an ab initio study (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1088/0957-4484/24/47/475401 (literal)
Alternative label
  • Korir, K. K.; Cicero, G.; Catellani, A. (2013)
    Piezoelectric properties of zinc oxide nanowires: an ab initio study
    in Nanotechnology (Bristol. Print); IOP PUBLISHING LTD, BRISTOL BS1 6BE (Regno Unito)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Korir, K. K.; Cicero, G.; Catellani, A. (literal)
Pagina inizio
  • 475401-1 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://iopscience.iop.org/0957-4484/24/47/475401 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 24 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 5 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Politecn Torino, Dipartimento Scienza Applicata & Tecnol, Turin, Italy; CNR IMEM, I-431100 Parma, Italy; Ctr S3, Ist Nanosci, CNR NANO, I-41125 Modena, Italy (literal)
Titolo
  • Piezoelectric properties of zinc oxide nanowires: an ab initio study (literal)
Abstract
  • Nanowires made of materials with non-centrosymmetric crystal structures are expected to be ideal building blocks for self-powered nanodevices due to their piezoelectric properties, yet a controversial explanation of the effective operational mechanisms and size effects still delays their real exploitation. To solve this controversy, we propose a methodology based on DFT calculations of the response of nanostructures to external deformations that allows us to distinguish between the different (bulk and surface) contributions: we apply this scheme to evaluate the piezoelectric properties of ZnO [0001] nanowires, with a diameter up to 2.3 nm. Our results reveal that, while surface and confinement effects are negligible, effective strain energies, and thus the nanowire mechanical response, are dependent on size. Our unified approach allows for a proper definition of piezoelectric coefficients for nanostructures, and explains in a rigorous way the reason why nanowires are found to be more sensitive to mechanical deformation than the corresponding bulk material. (literal)
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