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Multi‐Field Effect on the Electronic Properties of Silicon Nanowires
Author(s) -
Zhang Ren Qin,
Hou Chao,
Gao Nan,
Wen Zi,
Jiang Qing
Publication year - 2011
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201100030
Subject(s) - condensed matter physics , nanowire , fermi level , density functional theory , band gap , silicon nanowires , silicon , materials science , electric field , conduction band , electronic structure , valence (chemistry) , nanotechnology , physics , optoelectronics , quantum mechanics , electron
The quantum confinement and electronic properties of silicon nanowires (SiNWs) under an external strain field ε and an electric field E —as well as both ( ε plus E )—are systematically investigated using density functional theory. These two fields exist in working environments of integrated circuits. It is found that both ε and E lead to a drop of the band gap E g ( ε , E ) of the SiNWs. If both fields coexist, the interaction between ε and E causes that E g (ε, 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.