Theoretical study of the chemical gap tuning in silicon nanowires

被引：60
作者：
Aradi, B.
Ramos, L. E.
Deak, P.
Koehler, Th.
Bechstedt, F.
Zhang, R. Q.
Frauenheim, Th.
机构：
[1] Univ Bremen, Bremen Ctr Computat Mat Sci, D-28359 Bremen, Germany
[2] Univ Jena, Inst Festkorpertheorie & Opt, D-07743 Jena, Germany
[3] City Univ Hong Kong, Ctr Super Diamond & Adv Films, Hong Kong, Hong Kong, Peoples R China
[4] City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China
来源：
PHYSICAL REVIEW B | 2007年 / 76卷 / 03期
关键词：
D O I：
10.1103/PhysRevB.76.035305
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The dependence of the structural, electronic, and optical properties on the passivating shell of < 110 > and < 112 > silicon nanowires is investigated by a combination of theoretical methods. We show that the band structure around the Fermi level is strongly influenced by the direction of the nanowire as well as by the chemical properties of the passivating shell. This indicates that the wavelength of eventual light-emitting devices could be tuned by the choice of the surface coverage.
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页数：7
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