http://www.cnr.it/ontology/cnr/individuo/prodotto/ID32649
Polarization properties of (1-100) and (11-20) SiC surfaces from first principles (Articolo in rivista)
- Type
- Label
- Polarization properties of (1-100) and (11-20) SiC surfaces from first principles (Articolo in rivista) (literal)
- Anno
- 2007-01-01T00:00:00+01:00 (literal)
- Alternative label
Brandino G.P., Cicero G., Bonferroni B., Ferretti A., Calzolari A., Bertoni C.M., Catellani A. (2007)
Polarization properties of (1-100) and (11-20) SiC surfaces from first principles
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Brandino G.P., Cicero G., Bonferroni B., Ferretti A., Calzolari A., Bertoni C.M., Catellani A. (literal)
- Pagina inizio
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#descrizioneSinteticaDelProdotto
- Larticolo fornisce una descrizione teorica metodologica per il calcolo di polarizzazione di superficie, fattore che determina in modo critico i processi di crescita ed adorbimento. Gli effetti nanoscopici sono pure discussi. (literal)
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Cicero G.- Physics Department, Torino Polytechnic, C.Duca degli Abruzzi, 24, I-10129 Torino, and CNR-IMEM, Italy
Bertoni C.M. - CNR-INFM National Center on nanoStructures and bioSystems at Surfaces (S3) and Dipartimento di Fisica, Universita di Modena e Reggio Emilia, I-41100 Modena, Italy
Catellani A.- CNR-IMEM, Parco Area delle Scienze, 37A, I-43010 Parma, and S3, Italy (literal)
- Titolo
- Polarization properties of (1-100) and (11-20) SiC surfaces from first principles (literal)
- Abstract
- We report on first principles density functional calculations of non-polar low index surfaces of hexagonal silicon carbide. We provide an accurate analysis of the macroscopic bulk spontaneous polarization as a function of the hexagonality of the compound, and we describe in details the electronic and structural properties of the relaxed surfaces. We revise the methodology to achieve
a detailed description of the surface polarization effects. Our results on low-index surfaces reveal a strong in-plane polar contribution, opposing the spontaneous polarization field present in hexagonal polytypes. This in-plane surface polarization component has not been considered before, although it is of significant impact in adsorption experiments, affecting functionalization and growth processes, as well as the electronic properties of confined, low-dimensional systems. (literal)
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