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arxiv 2111.15334 v2 pith:VNT3ME5N submitted 2021-11-30 cond-mat.mtrl-sci physics.comp-ph

Unusual phase transition of layer-stacked borophene under pressure

classification cond-mat.mtrl-sci physics.comp-ph
keywords borophenetransitionpmmndiracfusedgraphenegraphene-likephase
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The 8-Pmmn borophene, a boron analogue of graphene, hosts tilted and anisotropic massless Dirac fermion quasiparticles owing to the presence of the distorted graphene-like sublattice. First-principles calculations show that the stacked 8-Pmmn borophene is transformed into the fused three-dimensional borophene under pressure, being accompanied by the partially bond-breaking and bond-reforming. Strikingly, the fused 8-Pmmn borophene inherits the Dirac band dispersion resulting in an unusual semimetal-semimetal transition. A simple tight-binding model derived from graphene qualitatively reveals the underlying physics due to the maximum preservation of graphene-like substructure after the phase transition, which contrasts greatly to the transformation of graphite into diamond associated with the semimetal-insulator transition.

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