Investigation of Mo defects in 4H-SiC by means of density functional theory

A. Csóré, A. Gällström, E. Janzén, A. Gali

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

1 Citation (Scopus)

Abstract

We investigated Molybdenum (Mo) defects in 4H silicon carbide (SiC). This system can be suitable candidate for in vivo biomarker applications since it shows photoluminescence (PL) in the near-infrared (NIR) region. In order to reveal the origin of this Mo-related PL center we carried out ab initio density functional theory (DFT) calculations on two microscopic models.

Original languageEnglish
Title of host publicationSilicon Carbide and Related Materials 2015
PublisherTrans Tech Publications Ltd
Pages261-264
Number of pages4
Volume858
ISBN (Print)9783035710427
DOIs
Publication statusPublished - 2016
Event16th International Conference on Silicon Carbide and Related Materials, ICSCRM 2015 - Sicily, Italy
Duration: Oct 4 2015Oct 9 2015

Publication series

NameMaterials Science Forum
Volume858
ISSN (Print)02555476

Other

Other16th International Conference on Silicon Carbide and Related Materials, ICSCRM 2015
CountryItaly
CitySicily
Period10/4/1510/9/15

Fingerprint

Molybdenum
Silicon carbide
silicon carbides
molybdenum
Density functional theory
Photoluminescence
density functional theory
photoluminescence
Defects
biomarkers
defects
Biomarkers
Infrared radiation
silicon carbide

Keywords

  • Biomarker
  • Charge transition levels
  • DFT
  • Electronic structure
  • Group theory
  • HSE06
  • NIR emission
  • PL spectrum

ASJC Scopus subject areas

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

Cite this

Csóré, A., Gällström, A., Janzén, E., & Gali, A. (2016). Investigation of Mo defects in 4H-SiC by means of density functional theory. In Silicon Carbide and Related Materials 2015 (Vol. 858, pp. 261-264). (Materials Science Forum; Vol. 858). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/MSF.858.261

Investigation of Mo defects in 4H-SiC by means of density functional theory. / Csóré, A.; Gällström, A.; Janzén, E.; Gali, A.

Silicon Carbide and Related Materials 2015. Vol. 858 Trans Tech Publications Ltd, 2016. p. 261-264 (Materials Science Forum; Vol. 858).

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

Csóré, A, Gällström, A, Janzén, E & Gali, A 2016, Investigation of Mo defects in 4H-SiC by means of density functional theory. in Silicon Carbide and Related Materials 2015. vol. 858, Materials Science Forum, vol. 858, Trans Tech Publications Ltd, pp. 261-264, 16th International Conference on Silicon Carbide and Related Materials, ICSCRM 2015, Sicily, Italy, 10/4/15. https://doi.org/10.4028/www.scientific.net/MSF.858.261
Csóré A, Gällström A, Janzén E, Gali A. Investigation of Mo defects in 4H-SiC by means of density functional theory. In Silicon Carbide and Related Materials 2015. Vol. 858. Trans Tech Publications Ltd. 2016. p. 261-264. (Materials Science Forum). https://doi.org/10.4028/www.scientific.net/MSF.858.261
Csóré, A. ; Gällström, A. ; Janzén, E. ; Gali, A. / Investigation of Mo defects in 4H-SiC by means of density functional theory. Silicon Carbide and Related Materials 2015. Vol. 858 Trans Tech Publications Ltd, 2016. pp. 261-264 (Materials Science Forum).
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