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Systematic first principles calculations of the effects of stacking faults defects on the 4H-SiC band structure

Published online by Cambridge University Press:  01 February 2011

Massimo Camarda ,
pietro delugas ,
Andrea Canino ,
Andrea Severino ,
nicolo piluso ,
Antonino La Magna  and
Francesco La Via
Massimo Camarda
Affiliation:
massimo.camarda@imm.cnr.it, Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi, Catania, Italy
pietro delugas
Affiliation:
delugas@dsf.unica.it, SLACS-CNR-INFM (Sardinian Laboratory for Computational Materials Science), Cagliari, Italy
Andrea Canino
Affiliation:
andrea.canino.ct@gmail.com, CNR-IMM, IMM, Z.I. VIII Strada 5 I, Catania, 95121, Italy
Andrea Severino
Affiliation:
andrea.severino@imm.cnr.it, Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi, Catania, Italy
nicolo piluso
Affiliation:
nicolopiluso@gmail.com, Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi, Catania, Italy
Antonino La Magna
Affiliation:
antonino.lamagna@imm.cnr.it, United States
Francesco La Via
Affiliation:
francesco.lavia@imm.cnr.it, Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi, Catania, Italy
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Abstract

Shockley-type Stacking faults (SSF) in hexagonal Silicon Carbide polytypes have received considerable attention in recent years since it has been found that these defects are responsible for the degradation of forward I-V characteristics in p-i-n diodes. In order to extend the knowledge on these kind of defects and theoretically support experimental findings (specifically, photoluminescence spectral analysis), we have determined the Kohn-Sham electronic band structures, along the closed path Γ-M-K-Γ, using density functional theory. We have also determined the energies of the SSFs with respect to the perfect crystal finding that the (35) and (44) SSFs have unexpectedly low formation energies, for this reason we could expect these two defects to be easily generated/expanded either during the growth or post-growth process steps.

Keywords

crystallographic structurecrystal growthdefects
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1246: Symposium B – Silicon Carbide 2010-Materials, Processing and Devices , 2010 , 1246-B03-07
Copyright
Copyright © Materials Research Society 2010

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