TY - JOUR
T1 - Monoclinic C16
T2 - sp2-sp3 hybridized nodal-line semimetal protected by PT-symmetry
AU - Feng, Xing
AU - Wu, Quansheng
AU - Cheng, Yong
AU - Wen, Bin
AU - Wang, Qian
AU - Kawazoe, Yoshiyuki
AU - Jena, Puru
PY - 2018/2
Y1 - 2018/2
N2 - Based on first-principles calculations and Wannier tight-binding model, a three-dimensional (3D) carbon structure, named mC16, composed of interpenetrating graphene, is shown to be a topological nodal-line semimetal. The band structure calculations reveal that mC16 exhibits some exceptional properties. These include the Dirac band and band inversion around the Fermi level, and four nodal-lines in the entire Brillouin zone, symmetrically distributed on both sides of the mirror plane, and protected by the PT symmetry. In addition, the topological “drumhead-like” surface states appear on the (001) surface of mC16 and the double “drumhead-like” flat surface state emerges on the type-II (001) surface of the 3D mC16 structure. Moreover, the exotic surface Dirac points are located on the type-I (001) surface, implying that mC16 may process interesting surface transport properties. These new features make mC16 a new member in the topological carbon family, with promising novel applications in electronic device.
AB - Based on first-principles calculations and Wannier tight-binding model, a three-dimensional (3D) carbon structure, named mC16, composed of interpenetrating graphene, is shown to be a topological nodal-line semimetal. The band structure calculations reveal that mC16 exhibits some exceptional properties. These include the Dirac band and band inversion around the Fermi level, and four nodal-lines in the entire Brillouin zone, symmetrically distributed on both sides of the mirror plane, and protected by the PT symmetry. In addition, the topological “drumhead-like” surface states appear on the (001) surface of mC16 and the double “drumhead-like” flat surface state emerges on the type-II (001) surface of the 3D mC16 structure. Moreover, the exotic surface Dirac points are located on the type-I (001) surface, implying that mC16 may process interesting surface transport properties. These new features make mC16 a new member in the topological carbon family, with promising novel applications in electronic device.
UR - http://www.scopus.com/inward/record.url?scp=85034647287&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85034647287&partnerID=8YFLogxK
U2 - 10.1016/j.carbon.2017.11.046
DO - 10.1016/j.carbon.2017.11.046
M3 - Article
AN - SCOPUS:85034647287
VL - 127
SP - 527
EP - 532
JO - Carbon
JF - Carbon
SN - 0008-6223
ER -