Ideal Nodal Line Semimetal in a Two-Dimensional Boron Bilayer

Xu, Shao-Gang1,2; Zheng, Baobing1,3,4; Xu, Hu1; Yang, Xiao-Bao2

2019-02-28

10.1021/acs.jpcc.8b12385

Journal of Physical Chemistry C   影响因子和分区

1932-7447

The successful experimental syntheses of two-dimensional (2D) boron allotropes with intriguing properties have stimulated great interest in searching for novel low-dimensional boron. By using high-throughput first-principles calculations, we proposed a new stable 2D boron with a bilayer structure (P6-boron), composed of the building blocks of buckled B-12 cluster. We showed the possibility of experimental syntheses of P6-boron on metal substrates and proposed a strategy to pursue for P6-boron by the B-12 clusters self-assembly. Specifically, P6-boron possesses a topologically nontrivial Dirac nodal line, which is protected by the mirror reflection symmetry. Furthermore, we employed a low-energy effective k.p model to prove the existence of the nodal line solution. In addition, the topological analysis of bonding suggests that the chemical bonds of P6-boron are all covalent rather than ionic bonds found in bilayer P6/mmm boron. We expect that our findings can favor the low-dissipation high-speed nanoelectronic devices based on 2D boron sheets.

SCI ; EI

英语

第一 ; 通讯

Baoji University of Arts and Sciences Key Research[ZK2017009]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:000460365200035

AMER CHEMICAL SOC

20191006601338

Bond strength (chemical) ; Calculations ; Chemical analysis ; Covalent bonds ; Self assembly ; Topology

Nonferrous Metals and Alloys excluding Alkali and Alkaline Earth Metals:549.3 ; Physical Chemistry:801.4 ; Mathematics:921 ; Combinatorial Mathematics, Includes Graph Theory, Set Theory:921.4 ; Materials Science:951

Web of Science

1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
2.South China Univ Technol, Dept Phys, Guangzhou 510640, Guangdong, Peoples R China
3.Baoji Univ Arts & Sci, Nonlinear Res Inst, Coll Phys & Optoelect Technol, Baoji 721016, Peoples R China
4.Wuhan Univ, Sch Phys & Technol, Wuhan 430072, Hubei, Peoples R China

Xu, Shao-Gang,Zheng, Baobing,Xu, Hu,et al. Ideal Nodal Line Semimetal in a Two-Dimensional Boron Bilayer[J]. Journal of Physical Chemistry C,2019,123(8):4977-4983.

Xu, Shao-Gang,Zheng, Baobing,Xu, Hu,&Yang, Xiao-Bao.(2019).Ideal Nodal Line Semimetal in a Two-Dimensional Boron Bilayer.Journal of Physical Chemistry C,123(8),4977-4983.

Xu, Shao-Gang,et al."Ideal Nodal Line Semimetal in a Two-Dimensional Boron Bilayer".Journal of Physical Chemistry C 123.8(2019):4977-4983.