Atomic and electronic structures of carbon nanotubes on Si(001) stepped surfaces

被引：28

作者：

Berber, S ^{[1
]}

Oshiyama, A ^{[1
]}

机构：

[1] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 96卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.96.105505

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report first-principles total-energy calculations that provide energetics and electronic structures of adsorbed carbon nanotubes (CNTs) on stepped Si(001) surfaces. We find that adsorption energies strongly depend on the directions of CNTs, and that there are several metastable adsorption sites both on terraces and near step edges. We also find that the electronic structure of adsorbed metallic CNTs becomes semiconducting or remains metallic, depending on the adsorption site. Charge redistribution upon adsorption is prominent mainly at the CNT-surface interface.

引用

页数：4

共 50 条

[31] The atomic and electronic structures of NiO(001)/Au(001) interfaces
Visikovskiy, A.
Mitsuhara, K.
Hazama, M.
Kohyama, M.
Kido, Y.
[J]. JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (14):
[32] Adsorption of Transition-Metal Atoms on MgO(001) Surfaces: Atomic Structures, Diffusion and Electronic Structures
Park, Jinwoo
Yu, B. D.
[J]. JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2008, 53 (04) : 1976 - 1981
[33] Electronic band structure of stepped Si(100) surfaces
Salman, SA
Katircioglu, S
Erkoç, S
[J]. SURFACE REVIEW AND LETTERS, 2001, 8 (1-2) : 61 - 66
[34] Atomic and electronic structures of GaAs (001) surface
Kulkova S.E.
Eremeev S.V.
Postnikov A.V.
Bazhanov D.I.
Potapkin B.V.
[J]. Russian Physics Journal, 2006, 49 (10) : 1088 - 1096
[35] Strain induced stabilization of stepped Si and Ge surfaces near (001)
Shenoy, VB
Ciobanu, CV
Freund, LB
[J]. APPLIED PHYSICS LETTERS, 2002, 81 (02) : 364 - 366
[36] Electronic structures of Ag/Ge(001) surfaces
Nakatsuji, K
Takagi, Y
Yamada, M
Naitoh, Y
Komori, F
[J]. SURFACE SCIENCE, 2005, 591 (1-3) : 108 - 116
[37] Atomic structures at a Si-nitride/Si(001) interface
Ikarashi, N
Watanabe, K
Miyamoto, Y
[J]. JOURNAL OF APPLIED PHYSICS, 2001, 90 (06) : 2683 - 2688
[38] Direct patterning of Si(001) surfaces by atomic manipulation
Salling, CT
[J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 1996, 14 (02): : 1322 - 1326
[39] Atomic and Electronic Structure of Cerium Oxide Stepped Model Surfaces
Branda, Maria M.
Loschen, Christoph
Neyman, Konstantin M.
Illas, Francesc
[J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (45): : 17643 - 17651
[40] ELECTRONIC-STRUCTURES OF AS/SI(001) 2X1 AND SB/SI(001) 2X1 SURFACES
LI, GW
CHANG, YC
[J]. PHYSICAL REVIEW B, 1994, 50 (12): : 8675 - 8680

← 1 2 3 4 5 →