Dirac cone in α-graphdiyne: a first-principles study

被引：39

作者：

Niu, Xiaoning ^{[1
]}

Mao, Xingze ^{[1
]}

Yang, Dezheng ^{[1
]}

Zhang, Zhiya ^{[1
]}

Si, Mingsu ^{[1
]}

Xue, Desheng ^{[1
]}

机构：

[1] Lanzhou Univ, Key Lab Magnetism & Magnet Mat, Minist Educ, Lanzhou 730000, Peoples R China

来源：

NANOSCALE RESEARCH LETTERS | 2013年 / 8卷

基金：

美国国家科学基金会;

关键词：

alpha-graphdiyne; Dirac cone; First-principles calculation;

D O I：

10.1186/1556-276X-8-469

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We investigate the Dirac cone in alpha-graphdiyne, which is a predicted flat one-atom-thick allotrope of carbon using first-principles calculations. alpha-graphdiyne is derived from graphene where two acetylenic linkages (-C a parts per thousand C-) are inserted into the single bonds (-C-C-). Thus, alpha-graphdiyne possesses a larger lattice constant which subsequently affects its electronic properties. Band structures show that alpha-graphdiyne exhibits similar Dirac points and cone to graphene. Further, the tight-binding method is used to exploit the linear dispersion in the vicinity of Dirac points. Thanks to the larger lattice constant, alpha-graphdiyne yields a lower Fermi velocity, which might make itself an ideal material to serve the anomalous integer quantum Hall effect.

引用

页码：1 / 5

页数：5

共 23 条

[11] Z2 topological order and the quantum spin Hall effect -: art. no. 146802 [J].

Kane, CL ;

Mele, EJ .

PHYSICAL REVIEW LETTERS, 2005, 95 (14)

[12] Graphyne: Hexagonal network of carbon with versatile Dirac cones [J].

Kim, Bog G. ;

Choi, Hyoung Joon .

PHYSICAL REVIEW B, 2012, 86 (11)

[13] KISSING YOU [J].

Koo, Jason .

YALE REVIEW, 2012, 100 (04) :116-117

[14]

Kresse G, PHYS REV B, V1116, P9

[15] g-B3N3C: a novel two-dimensional graphite-like material [J].

Li, Jinyun ;

Gao, Daqiang ;

Niu, Xiaoning ;

Si, Mingsu ;

Xue, Desheng .

NANOSCALE RESEARCH LETTERS, 2012, 7 :1-8

[16] Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones [J].

Malko, Daniel ;

Neiss, Christian ;

Vines, Francesc ;

Goerling, Andreas .

PHYSICAL REVIEW LETTERS, 2012, 108 (08)

[17] Topological invariants of time-reversal-invariant band structures [J].

Moore, J. E. ;

Balents, L. .

PHYSICAL REVIEW B, 2007, 75 (12)

[18] Two-dimensional gas of massless Dirac fermions in graphene [J].

Novoselov, KS ;

Geim, AK ;

Morozov, SV ;

Jiang, D ;

Katsnelson, MI ;

Grigorieva, IV ;

Dubonos, SV ;

Firsov, AA .

NATURE, 2005, 438 (7065) :197-200

[19]

Perdew JP, 1997, PHYS REV LETT, V78, P1396, DOI 10.1103/PhysRevLett.77.3865

[20] Divacancies in graphitic boron nitride sheets [J].

Si, M. S. ;

Li, J. Y. ;

Shi, H. G. ;

Niu, X. N. ;

Xue, D. S. .

EPL, 2009, 86 (04)

← 1 2 3 →