Theory of photo-ionization defects in nano-porous SiC alloys

Blair Richard Tuttle, Tyler Summers, Colton Barger, Joseph Noonan, Sokrates T. Pantelides

Research output: Contribution to journalArticle

Abstract

Photoionization experiments have aided in the characterization of defects in numerous materials including nanoporous silicon carbide (SiC) alloys. We report first-principles calculations of dangling bond defect levels in microscopic models of nanoporous SiC. We used hybrid density functional methods to determine the photoionization energies needed to excite electrons from carbon defects into the conduction bands of SiC alloys, including oxidized SiC. We also examine the energetics and electronic structure of carbon dangling bonds with and without oxygen nearest neighbor interactions. Oxidized carbon dangling bond defects have properties that are consistent with recent photoionization experiments in nanoporous oxidized SiC. Hyperfine calculations provide new predictions to be tested experimentally.

Original languageEnglish (US)
Article number215703
JournalJournal of Applied Physics
Volume125
Issue number21
DOIs
StatePublished - Jun 7 2019

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porous silicon
silicon carbides
photoionization
defects
carbon
conduction bands
electronic structure
oxygen
predictions
electrons
interactions
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Tuttle, B. R., Summers, T., Barger, C., Noonan, J., & Pantelides, S. T. (2019). Theory of photo-ionization defects in nano-porous SiC alloys. Journal of Applied Physics, 125(21), [215703]. https://doi.org/10.1063/1.5094440
Tuttle, Blair Richard ; Summers, Tyler ; Barger, Colton ; Noonan, Joseph ; Pantelides, Sokrates T. / Theory of photo-ionization defects in nano-porous SiC alloys. In: Journal of Applied Physics. 2019 ; Vol. 125, No. 21.
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Tuttle, BR, Summers, T, Barger, C, Noonan, J & Pantelides, ST 2019, 'Theory of photo-ionization defects in nano-porous SiC alloys', Journal of Applied Physics, vol. 125, no. 21, 215703. https://doi.org/10.1063/1.5094440

Theory of photo-ionization defects in nano-porous SiC alloys. / Tuttle, Blair Richard; Summers, Tyler; Barger, Colton; Noonan, Joseph; Pantelides, Sokrates T.

In: Journal of Applied Physics, Vol. 125, No. 21, 215703, 07.06.2019.

Research output: Contribution to journalArticle

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