Journal
PHYSICAL REVIEW MATERIALS
Volume 3, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevMaterials.3.044202
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Funding
- National Key RAMP
- D Program of China [2017YFA0302903]
- National Natural Science Foundation of China [11774422, 11774424, 11804039]
- Singapore Ministry of Education AcRF Tier 2 [MOE2015-T2-2-144]
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We predict a new three-dimensional 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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