Robust large-gap quantum spin Hall insulators in chemically decorated arsenene films

Wang, Dongchao; Chen, Li; Shi, Changmin; Wang, Xiaoli; Cui, Guangliang; Zhang, Pinhua; Chen, Yeqing

doi:10.1088/1367-2630/18/3/033026

Cited by 22 publications

(17 citation statements)

References 48 publications

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“…However, the origin of nontrivial topology in halogenated arsenene results from the massive Dirac point and there is no band inversion, where the mechanism is similar to that in functionlized Bi/Sb films12131447. Around Fermi level, there are massive Dirac cones at the K point and nearly flat bands (the second band below the Fermi level) in the band structures of halogenated arsenene.…”

Section: Resultsmentioning

confidence: 95%

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Wang

Chen

Shi

et al. 2016

Sci Rep

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Based on first-principles calculations, the electronic and topological properties of halogenated (F-, Cl-, Br- and I-) arsenene are investigated in detail. It is found that the halogenated arsenene sheets show Dirac type characteristic in the absence of spin-orbital coupling (SOC), whereas energy gap will be induced by SOC with the values ranging from 0.194 eV for F-arsenene to 0.255 eV for I-arsenene. Noticeably, these four newly proposed two-dimensional (2D) systems are verified to be quantum spin Hall (QSH) insulators by calculating the edge states with obvious linear cross inside bulk energy gap. It should be pointed out that the large energy gap in these 2D materials consisted of commonly used element is quite promising for practical applications of QSH insulators at room temperature.

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Section: Resultsmentioning

confidence: 95%

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Wang

Chen

Shi

et al. 2016

Sci Rep

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“…[249][250][251][252] The latest study predicted that decoration of arsenene with methyl (CH 3 ) and hydroxyl (OH) groups are dynamically stable and have nontrivial bandgaps (0.184 eV for AsCH 3 and 0.304 eV for AsOH) in the system. 253 Song et al predicted by first-principles calculations that SbX and BiX (X ¼ H, F, Cl, and Br) monolayers remain stable at even 600 K. According to their extensive analysis, SbX and BiX structures have large bulk gap values from 0.32 to 1.08 eV with SOC effects. 254 Stability of SbX monolayers are demonstrated by Zhang et al who calculated their phonon structures.…”

Section: F Hydrogenation and Halogenationmentioning

confidence: 99%

Two-dimensional pnictogens: A review of recent progresses and future research directions

Ersan

Kecik

Özçelik

et al. 2019

Applied Physics Reviews

156

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Soon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication of field effect transistors thereof, theoretical studies have predicted that other group-VA elements (or pnictogens), N, As, Sb, and Bi can also form stable, single-layer (SL) structures. These were nitrogene in a buckled honeycomb structure, arsenene, antimonene, and bismuthene in a buckled honeycomb, as well as washboard and square-octagon structures with unusual mechanical, electronic, and optical properties. Subsequently, theoretical studies are followed by experimental efforts that aim at synthesizing these novel 2D materials. Currently, research on 2D pnictogens has been a rapidly growing field revealing exciting properties, which offers diverse applications in flexible electronics, spintronics, thermoelectrics, and sensors. This review presents an evaluation of the previous experimental and theoretical studies until 2019, in order to provide input for further research attempts in this field. To this end, we first reviewed 2D, SL structures of group-VA elements predicted by theoretical studies with an emphasis placed on their dynamical and thermal stabilities, which are crucial for their use in a device. The mechanical, electronic, magnetic, and optical properties of the stable structures and their nanoribbons are analyzed by examining the effect of external factors, such as strain, electric field, and substrates. The effect of vacancy defects and functionalization by chemical doping through adatom adsorption on the fundamental properties of pnictogens has been a critical subject. Interlayer interactions in bilayer and multilayer structures, their stability, and tuning their physical properties by vertical stacking geometries are also discussed. Finally, our review is concluded by highlighting new research directions and future perspectives on the challenges in this emerging field.

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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%

“…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%

“…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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Robust large-gap quantum spin Hall insulators in chemically decorated arsenene films

Cited by 22 publications

References 48 publications

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

Two-dimensional pnictogens: A review of recent progresses and future research directions

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

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