Insight into the inclusion of heteroatom impurities in silicon structures

Author:

Maji Rita1ORCID,Luppi Eleonora2ORCID,Degoli Elena345ORCID,Contreras-García Julia2ORCID

Affiliation:

1. Dipartimento di Scienze e Metodi dell'Ingegneria, Università di Modena e Reggio Emilia, Via Amendola 2 Padiglione Tamburini, I-42122 Reggio Emilia, Italy

2. Laboratoire de Chimie Théorique, Sorbonne Université and CNRS, F-75005 Paris, France

3. Dipartimento di Scienze e Metodi dell'Ingegneria, Università di Modena e Reggio Emilia and Centro Interdipartimentale En&Tech, Via Amendola 2 Padiglione Morselli, I-42122 Reggio Emilia, Italy

4. Centro S3, Istituto Nanoscienze-Consiglio Nazionale delle Ricerche (CNR-NANO), Via Campi 213/A, 41125 Modena, Italy

5. Centro Interdipartimentale di Ricerca e per i Servizi nel settore della produzione, stoccaggio ed utilizzo dell'Idrogeno H2–MO.RE., Via Università 4, 41121 Modena, Italy

Abstract

A comprehensive understanding of the structural condition and impurity agglomerates in poly-Si structures can be obtained through the topological analysis of ELF for the characterization of chemical changes induced by defects.

Funder

Università Degli Studi di Modena e Reggio Emila

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference44 articles.

1. J.Neugebauer , A.Pasquarello , C. G.Van de Walle , A.Alkauskas and P.Deak , Advanced calculations for defects in materials: Electronic structure methods , 2011

2. N. W.Ashcroft and N. D.Mermin , Solid State Physics , Saunders College , Philadelphia, PA , 1976

3. Tutorial: Defects in semiconductors—Combining experiment and theory

4. Defects in Semiconductors

5. First-principles study ofn- andp-doped silicon nanoclusters

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