Spindle nodal chain in three-dimensional α′ boron

被引：20

作者：

Gao, Yan ^{[1
]}

Xie, Yuee ^{[1
]}

Chen, Yuanping ^{[1
]}

Gu, Jinxing ^{[2
]}

Chen, Zhongfang ^{[2
]}

机构：

[1] Xiangtan Univ, Sch Phys & Optoelect, Xiangtan 411105, Hunan, Peoples R China

[2] Univ Puerto Rico, Dept Chem, Rio Piedras Campus, San Juan, PR 00931 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2018年 / 20卷 / 36期

基金：

中国国家自然科学基金; 美国国家科学基金会; 美国国家卫生研究院;

关键词：

TOPOLOGICAL DIRAC SEMIMETAL; FERMIONS; SURFACE; ALLOTROPES; DISCOVERY; CARBON; LINES; CONES; TOOL;

D O I：

10.1039/c8cp03874k

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Topological metals/semimetals (TMs) have emerged as a new frontier in the field of quantum materials. A few two-dimensional (2D) boron sheets have been suggested as Dirac materials, however, to date TMs made of three-dimensional (3D) boron structures have not been found. Herein, by means of systematic first principles computations, we discovered that a rather stable 3D boron allotrope, namely 3D-alpha' boron, is a nodal-chain semimetal. In momentum space, six nodal lines and rings contact each other and form a novel spindle nodal chain. This 3D-alpha' boron can be formed by stacking 2D wiggle alpha' boron sheets, which are also nodal-ring semimetals. In addition, our chemical bond analysis revealed that the topological properties of the 3D and 2D boron structures are related to the pi bonds between boron atoms, however, the bonding characteristics are different from those in the 2D and 3D carbon structures.

引用

页码：23500 / 23506

页数：7

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