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.
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 indirectâdirect 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 SiâOâSi 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.
|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
|Deposited By:||Lesley Tobin|
|Deposited On:||24 Mar 2009 10:58|
|Last Modified:||24 Mar 2009 10:58|
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