Emergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
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AbstractUsing first-principles calculations, we investigate the electronic and vibrational properties of monolayer As and AsSb. While the pristine monolayers are semiconductors (direct band gap at the Γ point), fluorination results in Dirac cones at the K points. Fluorinated monolayer As shows a band gap of 0.16 eV due to spin-orbit coupling, and fluorinated monolayer AsSb a larger band gap of 0.37 eV due to inversion symmetry breaking. Spin-orbit coupling induces spin splitting similar to monolayer MoS2. Phonon calculations confirm that both materials are dynamically stable. Calculations of the edge states of nanoribbons by the tight-binding method demonstrate that fluorinated monolayer As is topologically nontrivial in contrast to fluorinated monolayer AsSb.
CitationEmergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb 2016, 93 (4) Physical Review B
PublisherAmerican Physical Society (APS)
JournalPhysical Review B