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

Zhang, Qingyun; Schwingenschlögl, Udo

doi:10.1103/physrevb.93.045312

Cited by 32 publications

(34 citation statements)

References 38 publications

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“…Such planarization could induce unique electronic properties. The functionalized arsenene AsR nanosheets, which are terminally decorated with R=H, F, Cl, Br, I, O, OH, CH 3 , etc, have aroused particular interests …”

Section: Surface Functionaliaztionmentioning

confidence: 99%

“…Subsequently, Zhang et al have demonstrated that the fluorinated monolayer has a bandgap of 0.16 eV due to the SOC and the topologically nontrivial state, which is in sharp contrast to the monolayer AsSb . They have investigated the atomically thin β‐SbAs polymorph and found that the SOC effect is significant, leading to reduction of about 200 meV in its band gap . Moreover, the bandgap of β‐SbAs was able be closed and reopened by using biaxial tensile strain, with the topological invariant Z 2 = 1.…”

Section: Potential Applicationsmentioning

confidence: 99%

“…The functionalized arsenene AsR nanosheets, which are terminally decorated with R=H, F, Cl, Br, I, O, OH, CH 3 , etc, have aroused particular interests. [65][66][67][68][69][70][71][72][73][74][75][76][77] The electronic structures of halogenated arsenenes were predicted to be stable via formation energy calculations, except AsI monolayer. The Dirac cone was found to appear in the halogenated arsenenes, 68,69 probably due to flattening of the structures of monolayer arsenenes upon fluorination.…”

Section: Covalent Chemical Decorationmentioning

confidence: 99%

“…The Dirac cone was found to appear in the halogenated arsenenes, 68,69 probably due to flattening of the structures of monolayer arsenenes upon fluorination. 70 In fact, for a broad scope of the chemically functionalized systems, AsR family (R=F, OH and CH 3 , etc.) were reported to be quasi planar structures.…”

Section: Covalent Chemical Decorationmentioning

confidence: 99%

“…In addition, various chemical functionalization routes have been proposed to predict the nontrivial topological state in the functionalized arsenene, 65,67,69,70,72,73,75,76 similar as demonstrated for stanene-and germanene-based materials. 8,113,119 The arsenene chemically functionalized with substituent groups R=CH 3 , F, and OH were predicted to be 2D TIs.…”

Section: Functionalized 2d Arsenene-based Tismentioning

confidence: 99%

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Theoretical studies on tunable electronic structures and potential applications of two‐dimensional arsenene‐based materials

Zhao

et al. 2018

WIREs Comput Mol Sci

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Research efforts in the area of two‐dimensional (2D) arsenene‐based materials have been fueled up recently due to similarities in honeycomb atomic structures and differences in physical and chemical properties between arsenene and graphene. The pioneering prediction of monolayered arsenene in 2015 and successful synthesis of multilayered arsenene nanoribbons in 2016 have promoted intensive subsequent studies, especially in the theoretical aspect. Density functional theory computations not only revealed desirable fundamental band gap, structural stability, and high carrier mobility of various arsenene‐based materials but also suggested promising applications in future optoelectronic and thermoelectric devices, as well as in the quantum spin Hall devices via surface functionalization and modulation of interlayer interactions. With an aim to present a comprehensive review on the tunable electronic structures of 2D arsenene‐based materials, our focus is placed on the tailoring routes through surface functionalization to modify the electronic and optoelectronic properties of the arsenenes. An emphasis is also given to recent progress in designing topological states in arsenene monolayers. The challenges and outlooks are also laid out in aspects of experimental fabrication, device performance, and arsenene‐based chemical reactions. This article is categorized under: Structure and Mechanism > Computational Materials Science Electronic Structure Theory > Density Functional Theory

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Section: Surface Functionaliaztionmentioning

confidence: 99%

Section: Potential Applicationsmentioning

confidence: 99%

Section: Covalent Chemical Decorationmentioning

confidence: 99%

Section: Covalent Chemical Decorationmentioning

confidence: 99%

Section: Functionalized 2d Arsenene-based Tismentioning

confidence: 99%

See 3 more Smart Citations

Theoretical studies on tunable electronic structures and potential applications of two‐dimensional arsenene‐based materials

Zhao

et al. 2018

WIREs Comput Mol Sci

View full text Add to dashboard Cite

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Recent Advances in Growth of Novel 2D Materials: Beyond Graphene and Transition Metal Dichalcogenides

2018

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Since the discovery of graphene just over a decade ago, 2D materials have been a central focus of materials research and engineering because of their unique properties and potential of revealing intriguing new phenomena. In the past few years, transition metal dichalcogenides (TMDs) have also attracted considerable attention because of the intrinsically opened bandgap. The exceptional properties and potential applications of graphene and TMDs have inspired explosive efforts to discover novel 2D materials. Here, emerging novel 2D materials are summarized and recent progress in the preparation, characterization, and application of 2D materials is highlighted. The experimental realization methods for these materials are emphasized, while the large-area growth and controlled patterning for industrial productions are discussed. Finally, the remaining challenges and potential applications of 2D materials are outlined.

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Oxygenation‐Induced Two‐Dimensional Topological Insulators in Antimony Arsenide

Xiao

Rong

et al. 2019

Physica Rapid Research Ltrs

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This study investigates the stability, electronic structure, and topological property of a fully oxygenated blue-antimony arsenide system based on first principle calculations. Our results demonstrate that the functionalized system is energetically, dynamically, and mechanically stable. Without the inclusion of spin-orbit coupling (SOC), a semimetal nature is observed with the degenerate valence and conduction bands at the Γ point. The SOC opens a large bulk gap of 252 meV, which makes it possible to work at room temperature. The nontrivial topological feature is confirmed by the Z 2 topological invariant Z 2 ¼ 1 and the gapless edge states inside the bulk gap. This finding enriches the family of 2D topological insulators, deepens the insight into the quantum Hall effect, and provides some theoretical ideas for preparing high-speed and dissipationless spintronic devices.

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

Cited by 32 publications

References 38 publications

Theoretical studies on tunable electronic structures and potential applications of two‐dimensional arsenene‐based materials

Theoretical studies on tunable electronic structures and potential applications of two‐dimensional arsenene‐based materials

Recent Advances in Growth of Novel 2D Materials: Beyond Graphene and Transition Metal Dichalcogenides

Oxygenation‐Induced Two‐Dimensional Topological Insulators in Antimony Arsenide

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