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Spindle nodal chain in three-dimensional α' boron
Yan Gao1, Yuee Xie, Yuanping Chen
1School of Physics and Optoelectronics, Xiangtan University, Xiangtan, 411105, Hunan, China. chenyp@xtu.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|September 6, 2018
Summary
Researchers discovered a stable 3D boron structure, 3D-α' boron, as a nodal-chain semimetal. This quantum material features a novel spindle nodal chain and offers new possibilities for topological materials.
Area of Science:
- Quantum materials science
- Condensed matter physics
- Materials chemistry
Background:
- Topological metals/semimetals (TMs) are a significant area of quantum materials research.
- While 2D boron sheets have been explored as Dirac materials, 3D topological boron structures remain undiscovered.
Purpose of the Study:
- To investigate the potential of 3D boron structures as topological materials.
- To identify and characterize novel topological phases in boron allotropes.
Main Methods:
- Systematic first-principles computations were employed.
- Electronic band structures and chemical bonding were analyzed.
Main Results:
- A stable 3D boron allotrope, 3D-α' boron, was identified as a nodal-chain semimetal.
- This material exhibits a novel spindle nodal chain formed by interconnected nodal lines and rings in momentum space.
- The constituent 2D wiggle α' boron sheets were also found to be nodal-ring semimetals.
Conclusions:
- 3D-α' boron represents the first discovered 3D topological boron material.
- The topological properties are linked to π bonding between boron atoms, distinct from carbon allotropes.
- This discovery opens avenues for exploring new 3D topological quantum materials based on boron.