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Novel Electronic Properties of Silicon Nanostructures

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Growth Mechanisms and Novel Properties of Silicon Nanostructures from Quantum-Mechanical Calculations

Part of the book series: SpringerBriefs in Molecular Science ((BRIEFSMOLECULAR))

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Abstract

Due to their finite size and the significant localization of their electrons upon excitation, silicon nanostructures in excited states undergo severe relaxation and thus show significant Stokes shift at a diameter less than 1.5 nm. The effect is much reduced at a larger size due to the improved structural rigidity and also due to the delocalization of the excited electrons. The latter can also be achieved by elongating the nanostructure in a certain direction. One-dimensional silicon nanowires present energy band structures of strong orientation and size dependences. In particular, <112> silicon nanowires always have indirect bandgaps if the cross-sectional aspect ratio of the (110) and (111) facets is smaller than 0.5. At a larger aspect ratio, the bandgap becomes direct. The bandgap can also be tuned by applying external stress, to direct one with a compression up to 5 %, but keeps indirect under a tensile stress. For two-dimensional silicon sheets, the possibility to tune the bandgap between indirect and direct is very high, by carefully controlling the magnitude and direction of strain application, very effective for engineering the electronic band structure of silicon nanostructures.

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Authors and Affiliations

  1. Department of Physics and Material Science, City University of Hong Kong, Hong Kong SAR, People’s Republic of China

    Rui-Qin Zhang

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Zhang, RQ. (2014). Novel Electronic Properties of Silicon Nanostructures. In: Growth Mechanisms and Novel Properties of Silicon Nanostructures from Quantum-Mechanical Calculations. SpringerBriefs in Molecular Science. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-40905-9_4

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