Emergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb

Qingyun Zhang, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

Abstract

Using 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.
Original languageEnglish (US)
JournalPhysical Review B
Volume93
Issue number4
DOIs
StatePublished - Jan 21 2016

Fingerprint Dive into the research topics of 'Emergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb'. Together they form a unique fingerprint.

Cite this