Two-dimensional carbon semiconductor: Density functional theory calculations

被引：89

作者：

Appelhans, David J. ^{[1
]}

Lin, Zhibin ^{[1
]}

Lusk, Mark T. ^{[1
]}

机构：

[1] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA

来源：

PHYSICAL REVIEW B | 2010年 / 82卷 / 07期

基金：

美国国家科学基金会;

关键词：

TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; GRAPHENE NANORIBBONS; ELECTRONIC-STRUCTURE; ELASTIC PROPERTIES; NANOTUBES; MOLECULES; DEFECTS; GAS; ALLOTROPES;

D O I：

10.1103/PhysRevB.82.073410

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We show that patterned defects can be used to disrupt the sublattice symmetry of graphene so as to open up a band gap. This way of modifying graphene's electronic structure does not rely on external agencies, the addition of new elements or special boundaries. The method is used to predict a planar, low energy, graphene allotrope with a band gap of 1.2 eV. This defect engineering also allows semiconducting ribbons of carbon to be fabricated within graphene. Linear arrangements of defects lead to naturally embedded ribbons of the semiconducting material in graphene, offering the prospect of two-dimensional circuit logic composed entirely of carbon.

引用

页数：4

共 50 条

[1]

APPELHANS D, 2009, THESIS COLORADO SCH

[2]

Bai JW, 2010, NAT NANOTECHNOL, V5, P190, DOI [10.1038/NNANO.2010.8, 10.1038/nnano.2010.8]

[3] Electronic structure and stability of semiconducting graphene nanoribbons [J].

Barone, Veronica ;

Hod, Oded ;

Scuseria, Gustavo E. .

NANO LETTERS, 2006, 6 (12) :2748-2754

[4] Reversible defect engineering of single-walled carbon nanotubes using scanning tunneling microscopy [J].

Berthe, Maxime ;

Yoshida, Shoji ;

Ebine, Yuta ;

Kanazawa, Ken ;

Okada, Arifumi ;

Taninaka, Atsushi ;

Takeuchi, Osamu ;

Fukui, Nobuyuki ;

Shinohara, Hisanori ;

Suzuki, Satoru ;

Sumitomo, Koji ;

Kobayashi, Yoshihiro ;

Grandidier, Bruno ;

Stievenard, Didier ;

Shigekawa, Hidemi .

NANO LETTERS, 2007, 7 (12) :3623-3627

[5] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[6] Ultrahigh electron mobility in suspended graphene [J].

Bolotin, K. I. ;

Sikes, K. J. ;

Jiang, Z. ;

Klima, M. ;

Fudenberg, G. ;

Hone, J. ;

Kim, P. ;

Stormer, H. L. .

SOLID STATE COMMUNICATIONS, 2008, 146 (9-10) :351-355

[7] Electronic states of graphene nanoribbons studied with the Dirac equation [J].

Brey, L ;

Fertig, HA .

PHYSICAL REVIEW B, 2006, 73 (23)

[8]

Ci L, 2010, NAT MATER, V9, P430, DOI [10.1038/nmat2711, 10.1038/NMAT2711]

[9] Prediction of a pure-carbon planar covalent metal [J].

Crespi, VH ;

Benedict, LX ;

Cohen, ML ;

Louie, SG .

PHYSICAL REVIEW B, 1996, 53 (20) :13303-13305

[10] Gap opening in topological-defect lattices in graphene [J].

da Silva-Araujo, Joice ;

Chacham, H. ;

Nunes, R. W. .

PHYSICAL REVIEW B, 2010, 81 (19)

← 1 2 3 4 5 →