Ab‐initio study of silicon nanowires
Author(s) -
Karazhanov Smagul,
Marstein Erik,
Holt Arve
Publication year - 2012
Publication title -
physica status solidi c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 46
eISSN - 1610-1642
pISSN - 1862-6351
DOI - 10.1002/pssc.201100758
Subject(s) - nanowire , silicon , conduction band , silicon nanowires , materials science , condensed matter physics , ab initio , density functional theory , valence band , valence (chemistry) , direct and indirect band gaps , electronic band structure , semimetal , nanotechnology , band gap , optoelectronics , computational chemistry , chemistry , physics , quantum mechanics , electron
Four different size nanowires of Si have been studied by the density functional theory. We have shown that distinct from the bulk silicon with indirect band structure the one of the silicon nanowires is direct. Both valence band maximum and conduction band minimum are located at the Γ point. Optical properties of the nanowires have been studied. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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