Identification of niobium in 4H-SiC by EPR and ab INITIO studies

N. T. Son, V. Ivády, A. Gali, A. Gällström, S. Leone, O. Kordina, E. Janzén

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

In unintentionally Nb-doped 4H-SiC grown by high-temperature chemical vapor deposition (HTCVD), an electron paramagnetic resonance (EPR) center with C 1h symmetry and an electron spin S=1/2 was observed. The spectrum shows a hyperfine structure consisting of ten equal-intensity hyperfine (hf) lines which is identified as due to the hf interaction between the electron spin and the nuclear spin of 93Nb. An additional hf structure due to the interaction with two equivalent Si neighbors was also observed. AB INITIO supercell calculations of Nb in 4H-SiC suggest that Nb may form a complex with a C-vacancy (V C) resulting in an asymmetric split-vacancy (ASV) defect, Nb Si-V C. Combining results from EPR and supercell calculations, we assign the observed Nb-related EPR center to the hexagonal-hexagonal configuration of the AVS defect in the neutral charge state, (Nb Si-V C) 0.

Original languageEnglish
Title of host publicationSilicon Carbide and Related Materials 2011, ICSCRM 2011
Pages217-220
Number of pages4
DOIs
Publication statusPublished - May 28 2012
Event14th International Conference on Silicon Carbide and Related Materials 2011, ICSCRM 2011 - Cleveland, OH, United States
Duration: Sep 11 2011Sep 16 2011

Publication series

NameMaterials Science Forum
Volume717-720
ISSN (Print)0255-5476

Other

Other14th International Conference on Silicon Carbide and Related Materials 2011, ICSCRM 2011
CountryUnited States
CityCleveland, OH
Period9/11/119/16/11

Keywords

  • Ab initio calculations
  • Electron paramagnetic resonance
  • Split-vacancy defect
  • Transition metal impurity

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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  • Cite this

    Son, N. T., Ivády, V., Gali, A., Gällström, A., Leone, S., Kordina, O., & Janzén, E. (2012). Identification of niobium in 4H-SiC by EPR and ab INITIO studies. In Silicon Carbide and Related Materials 2011, ICSCRM 2011 (pp. 217-220). (Materials Science Forum; Vol. 717-720). https://doi.org/10.4028/www.scientific.net/MSF.717-720.217