http://www.cnr.it/ontology/cnr/individuo/prodotto/ID178393

Impurity screening in silicon nanocrystals (Articolo in rivista)

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Trani, F; Ninno, D; Cantele, G; Degoli, E; Ossicini, S (2009)
Impurity screening in silicon nanocrystals
in Physica. E, Low-dimensional systems and nanostructures (Print); Elsevier, Amsterdam (Paesi Bassi)
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Univ Naples Federico 2, INFM, Coherentia CNR, I-80126 Naples, Italy; Univ Naples Federico 2, Dipartimento Sci Fis, I-80126 Naples, Italy; Univ Modena & Reggio Emilia, INFM, CNR, S3, I-42100 Reggio Emilia, Italy; Univ Modena & Reggio Emilia, Dipartimento Sci & Metodi Ingn, I-42100 Reggio Emilia, Italy (literal)

Titolo

Abstract

The impurity screening in silicon nanocrystals is analyzed using a first-principles approach based on density functional theory. The electron density induced by a positively charged impurity is evaluated as a function of the nanocrystal size. From our calculations we found that the impurity is responsible for an electron density accumulation around the impurity site, fully compensated by a positive charge accumulation at the surface (electron depletion). The results are sound and shed new light on the most recent findings in this field. On the basis of the present first-principles results, we propose a Thomas-Fermi model of the impurity screening in silicon nanocrystals. The model gives reliable estimations of the screening function, that well compares to recent ab-initio calculations. (literal)

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