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CLC number: O471.4

On-line Access: 2011-04-11

Received: 2010-06-06

Revision Accepted: 2010-09-21

Crosschecked: 2010-12-10

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Journal of Zhejiang University SCIENCE A 2011 Vol.12 No.4 P.255-259


Physical properties of the junction of scandium and carbon nanotubes

Author(s):  Fang Lin

Affiliation(s):  College of Science, South China Agricultural University, Guangzhou 510642, China

Corresponding email(s):   linfang@scau.edu.cn

Key Words:  Carbon nanotubes (CNTs), Metal-semiconductor junction, First-principle calculations

Fang Lin. Physical properties of the junction of scandium and carbon nanotubes[J]. Journal of Zhejiang University Science A, 2011, 12(4): 255-259.

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author="Fang Lin",
journal="Journal of Zhejiang University Science A",
publisher="Zhejiang University Press & Springer",

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%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.A1000258

T1 - Physical properties of the junction of scandium and carbon nanotubes
A1 - Fang Lin
J0 - Journal of Zhejiang University Science A
VL - 12
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EP - 259
%@ 1673-565X
Y1 - 2011
PB - Zhejiang University Press & Springer
ER -
DOI - 10.1631/jzus.A1000258

Using first-principles calculations, the contact between the scandium (Sc) and semiconducting carbon nanotube (CNT) is investigated. This is one of the best quality of n-type contacts. Two junction models with (8,0) CNT on low-index Sc surfaces are constructed to elucidate the structural and electronic properties of Sc/CNT junctions. Analyses based on density of states and charge difference reveal that strong chemical bonds are formed between Sc and C atoms due to hybrid states of Sc 3d state and C 2π state. With respect to Ti(0001)/CNT junction, we find the dipole layer formed at the interface of Sc(0001)/CNT is comparable with that of Ti(0001)/CNT but gives a negative barrier at the interface. This indicates that the excellent contact properties of Sc metal electrode are caused by its low work function and excellent binding with CNT.

Darkslateblue:Affiliate; Royal Blue:Author; Turquoise:Article


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