A carbon allotrope with twisted Dirac cones induced by grain boundaries composed of pentagons and octagons

Kong, Weixiang1,2; Xiao, Xiaoliang1,2; Zhan, Fangyang1,2; Wang, Rui1,2; Gan, Li-Yong1,2; Wei, Juan1,2; Fan, Jing3; Wu, Xiaozhi1,2

2023

10.1039/d2cp05271g

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   影响因子和分区

1463-9076

1463-9084

The grain boundaries (GBs) composed of pentagons and octagons (558 GBs) have been demonstrated to induce attractive transport properties such as Van Hove singularity (VHS) and quasi-one-dimensional metallic wires. Here, we propose a monolayer carbon allotrope which is formed from the introduction of periodic 558 GBs to decorate intact graphene, termed as PHO-graphene. The calculated electronic properties indicate that PHO-graphene not only inherits the previously superior characteristics such as Van Hove singularity and quasi-one-dimensional metallic wires, but also possesses two twisted Dirac cones near the Fermi level. Further calculation finds that the Berry phase is quantized to +/- pi at the two Dirac points, which is consistent with the distribution of the corresponding Berry curvature. The parity argument uncovers that PHO-graphene hosts a nontrivial band topology and the edge states connecting the two Dirac points are clearly visible. Our findings not only provide a reliable avenue to realize the abundant and extraordinary properties of carbon allotropes, but also offer an attractive approach for designing all carbon-based devices.

SCI ; EI

英语

其他

Natural Science Foundation of China[12174040] ; Chongqing Natural Science Foundation[cstc2020jcyj-msxmX0118]

Chemistry ; Physics

Chemistry, Physical ; Physics, Atomic, Molecular & Chemical

WOS:000914165500001

ROYAL SOC CHEMISTRY

20230513499813

Electronic properties ; Fruits ; Geometry ; Graphene

Nanotechnology:761 ; Chemical Products Generally:804 ; Agricultural Products:821.4 ; Mathematics:921

CHEMISTRY

Web of Science

1.Chongqing Univ, Inst Struct & Funct, Chongqing 401331, Peoples R China
2.Chongqing Univ, Dept Phys, Chongqing 401331, Peoples R China
3.Southern Univ Sci & Technol, Ctr Computat Sci & Engn, Shenzhen 518055, Peoples R China

Kong, Weixiang,Xiao, Xiaoliang,Zhan, Fangyang,et al. A carbon allotrope with twisted Dirac cones induced by grain boundaries composed of pentagons and octagons[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2023,25(5):4230-4235.

Kong, Weixiang.,Xiao, Xiaoliang.,Zhan, Fangyang.,Wang, Rui.,Gan, Li-Yong.,...&Wu, Xiaozhi.(2023).A carbon allotrope with twisted Dirac cones induced by grain boundaries composed of pentagons and octagons.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,25(5),4230-4235.

Kong, Weixiang,et al."A carbon allotrope with twisted Dirac cones induced by grain boundaries composed of pentagons and octagons".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25.5(2023):4230-4235.