title: Dirac cone in α-graphdiyne: a first-principles study.
abstract: : We investigate the Dirac cone in α-graphdiyne, which is a predicted flat one-atom-thick allotrope of carbon using first-principles calculations. α-graphdiyne is derived from graphene where two acetylenic linkages (-C ≡C-) are inserted into the single bonds (-C-C-). Thus, α-graphdiyne possesses a larger lattice constant which subsequently affects its electronic properties. Band structures show that α-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, α-graphdiyne yields a lower Fermi velocity, which might make itself an ideal material to serve the anomalous integer quantum Hall effect.
authors.affiliation: Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, 222 South Tianshui Road, Lanzhou 730000, China. sims@lzu.edu.cn.
authors.forename: Xiaoning
authors.initials: X
authors.lastname: Niu
authors.forename: Xingze
authors.initials: X
authors.lastname: Mao
authors.forename: Dezheng
authors.initials: D
authors.lastname: Yang
authors.forename: Zhiya
authors.initials: Z
authors.lastname: Zhang
authors.forename: Mingsu
authors.initials: M
authors.lastname: Si
authors.forename: Desheng
authors.initials: D
authors.lastname: Xue