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Creators/Authors contains: "Chen, Yuanping"

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  1. ; ; ; ; (, Physical Review Letters)
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  2. ; ; ; ; (, Physical Chemistry Chemical Physics)
    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-α′ 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-α′ boron can be formed by stacking 2D wiggle α′ 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 π bonds between boron atoms, however, the bonding characteristics are different from those in the 2D and 3D carbon structures. 
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