First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets

Autor:	Lin Linhan, Li DeXing, Feng Jiayou
Jazyk:	angličtina
Rok vydání:	2009
Předmět:	Silicon nanonets Oxygen-passivated First-principles calculation Direct band gap Porosity Pore array distribution Materials of engineering and construction. Mechanics of materials TA401-492
Zdroj:	Nanoscale Research Letters, Vol 4, Iss 5, Pp 409-413 (2009)
Druh dokumentu:	article
ISSN:	1931-7573 1556-276X
DOI:	10.1007/s11671-009-9259-0
Popis:	Abstract A net-like nanostructure of silicon named silicon nanonet was designed and oxygen atoms were used to passivate the dangling bonds. First-principles calculation based on density functional theory with the generalized gradient approximation (GGA) were carried out to investigate the energy band gap structure of this special structure. The calculation results show that the indirect–direct band gap transition occurs when the nanonets are properly designed. This band gap transition is dominated by the passivation bonds, porosities as well as pore array distributions. It is also proved that Si–O–Si is an effective passivation bond which can change the band gap structure of the nanonets. These results provide another way to achieve a practical silicon-based light source.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/fda295baf9a1463ea3ac9a9e55d481a9 Zobrazit plný text záznamu Full text from SpringerLink View record in DOAJ