4.5 Article

Multi-Field Effect on the Electronic Properties of Silicon Nanowires

Journal

CHEMPHYSCHEM
Volume 12, Issue 7, Pages 1302-1309

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201100030

Keywords

density functional calculations; electronic properties; electronic structure; nanomaterials; silicon

Funding

  1. National Key Basic Research Development Program [2010CB631001]
  2. Program for Changjiang Scholars and Innovative Research Team in University

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The quantum confinement and electronic properties of silicon nanowires (SiNWs) under an external strain field epsilon and an electric field E-as well as both (epsilon plus E)-are systematically investigated using density functional theory. These two fields exist in working environments of integrated circuits. It is found that both epsilon and E lead to a drop of the band gap E-g(epsilon, E) of the SiNWs. If both fields coexist, the interaction between epsilon and E causes that E-g(epsilon, E) becomes orientation-dependent, which results from variations of both the conduction-band minimum and the valence-band maximum. The interaction is further illustrated by the density of states near the Fermi level and the eigenvalue of the highest occupied molecular orbital.

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