Surface-state dependent optical properties of OH-, F-, and H-terminated 4H-SiC quantum dots

Rashid, Marzaini; Tiwari, Amit K.; Goss, J.P.; Rayson, M.J.; Briddon, P.R.; Horsfall, A.B.

Abstract

Density functional calculations are performed for OH-, F- and H-terminated 4H-SiC 10–20 Å diameter clusters to investigate the effect of surface species upon the optical absorption properties. H-termination results in a pronounced size-dependent quantum-confinement in the absorption, whereas F- and OH-terminations exhibit much reduced size dependent absorption due to surface states. Our findings are in good agreement with recent experimental studies, and are able to explain the little explored dual-feature photoluminescence spectra of SiC quantum dots. We propose that along with controlling the size, suitable surface termination is the key for optimizing optical properties of 4H-SiC quantum structures, such as might be exploited in optoelectronics, photovoltaics and biological applications.

Citation

Rashid, M., Tiwari, A. K., Goss, J., Rayson, M., Briddon, P., & Horsfall, A. (2016). Surface-state dependent optical properties of OH-, F-, and H-terminated 4H-SiC quantum dots. Physical Chemistry Chemical Physics, 18(31), Article 21676. https://doi.org/10.1039/c6cp03775e

• Journal Article Type: Article
• Acceptance Date: Jul 11, 2016
• Online Publication Date: Jul 14, 2016
• Publication Date: 2016-08
• Deposit Date: Oct 1, 2018
• Journal: Physical Chemistry Chemical Physics
• Print ISSN: 1463-9076
• Electronic ISSN: 1463-9084
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 18
• Issue: 31
• Article Number: 21676
• DOI: https://doi.org/10.1039/c6cp03775e
• Public URL: https://durham-repository.worktribe.com/output/1318239