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Effects of oxygen, fluorine, and hydroxyl passivation on electronic properties of -oriented silicon nanowires
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10.1063/1.2956864
/content/aip/journal/jap/104/2/10.1063/1.2956864
http://aip.metastore.ingenta.com/content/aip/journal/jap/104/2/10.1063/1.2956864

Figures

Image of FIG. 1.
FIG. 1.

The cross sections of -oriented SiNWs terminated by O, F, OH, and H, as optimized by USPP. The gray small balls indicate H. The large yellow, blue, and red balls stand for Si, F, and O, respectively. For some cases only half of the nanostructures is presented. The data for the No. 2 and 4 cases are taken from Ref. 20.

Image of FIG. 2.
FIG. 2.

Band structures of SiNWs terminated by O and H as calculated by USPP. The corresponding cross sections are shown in Fig. 1 and detailed information about the band gaps and the dipole matrix elements are summarized in Table I. The data for the No. 2 and 4 cases are taken from Ref. 20.

Image of FIG. 3.
FIG. 3.

Band structures of SiNWs terminated by F and H as calculated by USPP. The corresponding cross sections are shown in Fig. 1 and detailed information about the band gaps and the dipole matrix elements are summarized in Table I.

Image of FIG. 4.
FIG. 4.

Band structures of SiNWs terminated by OH and H as calculated by USPP. The corresponding cross sections are shown in Fig. 1 and detailed information about the band gaps and the dipole matrix elements are summarized in Table I.

Image of FIG. 5.
FIG. 5.

Band structures of SiNWs terminated by O, F, and H as calculated by USPP. The corresponding cross sections are shown in Fig. 1 and detailed information about the band gaps and the dipole matrix elements are summarized in Table I.

Image of FIG. 6.
FIG. 6.

Band structures of SiNWs terminated by O, OH, and H as calculated by USPP. The corresponding cross sections are shown in Fig. 1 and detailed information about the band gaps and the dipole matrix elements are summarized in Table I.

Tables

Generic image for table
Table I.

The gap (, in eV) and square values of the dipole matrix elements of the first direct transition with respect to the one in GaAs bulk for SiNWs terminated by different functional groups. The indirect transition of the gap is indicated by . The corresponding cross sections of the nanostructures are shown in Fig. 1. The data for the No. 2 and 4 cases are taken from Ref. 20.

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/content/aip/journal/jap/104/2/10.1063/1.2956864
2008-07-25
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effects of oxygen, fluorine, and hydroxyl passivation on electronic properties of ⟨001⟩-oriented silicon nanowires
http://aip.metastore.ingenta.com/content/aip/journal/jap/104/2/10.1063/1.2956864
10.1063/1.2956864
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