English

Unusual phase transition of layer-stacked borophene under pressure

Materials Science 2022-06-22 v2 Computational Physics

Abstract

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.

Keywords

Cite

@article{arxiv.2111.15334,
  title  = {Unusual phase transition of layer-stacked borophene under pressure},
  author = {Xiao-Ji Weng and QuanSheng Wu and Xi Shao and Oleg V. Yazyev and Xin-Ling He and Xiao Dong and Hui-Tian Wang and Xiang-Feng Zhou and Yongjun Tian},
  journal= {arXiv preprint arXiv:2111.15334},
  year   = {2022}
}

Comments

6 pages, 4 figures