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arxiv: 1901.08413 · v1 · pith:Z3ZKSXFWnew · submitted 2019-01-24 · ❄️ cond-mat.mtrl-sci

Hexagonal supertetrahedral boron: A topological metal with multiple spin-orbit-free emergent fermions

classification ❄️ cond-mat.mtrl-sci
keywords fermionallotropeboronemergentfermionsh-boronhexagonaldiamond
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We predict a new three-dimensional (3D) boron allotrope based on systematic first-principles electronic structure calculations. This allotrope can be derived by substituting each carbon atom in a hexagonal diamond lattice with a B$_{4}$ tetrahedron and possesses the same space group $P6_{3}/mmc$ as hexagonal diamond, hence it is termed as H-boron. We show that H-boron has good stability and excellent mechanical property. Remarkably, we find that H-boron is a topological metal with rich types of spin-orbit-free emergent fermions, including semi-Dirac fermion, quadratic and linear triple-point fermion, nodal-line fermion, and nodal-surface fermion. We clarify their symmetry protections and characterize them by constructing the corresponding low-energy effective models. Our work not only discovers a new boron allotrope with excellent properties, it also offers a platform to explore interesting physics of new kinds of emergent fermions.

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