Nano Archive

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

Lin, Linhan and Li, DeXing and Feng, Jiayou (2009) First-Principles Study of the Band Gap Structure of Oxygen-Passivated Silicon Nanonets. Nanoscale Research Letters, 4 (5). pp. 409-413.

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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.

Item Type:Article
Uncontrolled Keywords:Silicon nanonets Oxygen-passivated First-principles calculation Direct band gap Porosity Pore array distribution
Subjects:Material Science > Nanostructured materials
Analytical Science > Beam methods
ID Code:4333
Deposited By:Lesley Tobin
Deposited On:24 Mar 2009 10:58
Last Modified:24 Mar 2009 10:58

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