Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

Zhang, Shengli; Xie, Meiqiu; Li, Fengyu; Zhong, Yan; Li, Yafei; Kan, Erjun; Liu, Wei; Chen, Zhongfang; Zeng, Haibo

doi:10.1002/anie.201507568

Cited by 677 publications

(372 citation statements)

References 40 publications

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“…Bi pm ×487 pm. These values agree well with the result of our calculations and existing literature values [17,22,23,25,34,[37][38][39]. Refer to supplementary table SI for full details, including experimental uncertainties.…”

Section: Resultssupporting

confidence: 92%

“…In our experiments Bi nanoislands (which have been intensively studied previously [16,[30][31][32][33][34]) serve as a basis for the growth of the antimonenes. For growing those Bi islands we have used MoS 2 substrates as well as the more usual graphite (HOPG) and obtain qualitatively similar results in both cases, but focus here on the MoS 2 samples for three different reasons: (i) MoS 2 is a semiconductor which provides opportunities for fabrication of electronic devices, (ii) the difference in the interactions between the Bi and the MoS 2 (compared to HOPG) lead to subtle but interesting structural differences, and (iii) neither antimonene nor bismuthene have been reported on MoS 2 before.…”

Section: Methodsmentioning

confidence: 99%

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Engineering multiple topological phases in nanoscale Van der Waals heterostructures: realisation of α-antimonene

et al. 2017

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Van der Waals heterostructures have recently been identified as providing many opportunities to create new two-dimensional materials, and in particular to produce materials with topologicallyinteresting states. Here we show that it is possible to create such heterostructures with multiple topological phases in a single nanoscale island. We discuss their growth within the framework of diffusion-limited aggregation, the formation of moiré patterns due to the differing crystallographies of the materials comprising the heterostructure, and the potential to engineer both the electronic structure as well as local variations of topological order. In particular we show that it is possible to build islands which include both the hexagonal β-and rectangular α-forms of antimonene, on top of the topological insulator α-bismuthene. This is the first experimental realisation of α-antimonene, and we show that it is a topologically non-trivial material in the quantum spin Hall class.

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Section: Resultssupporting

confidence: 92%

Section: Methodsmentioning

confidence: 99%

Engineering multiple topological phases in nanoscale Van der Waals heterostructures: realisation of α-antimonene

et al. 2017

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“…From detailed analysis of the Raman spectra and the corresponding vibrational modes of α-GeSe (see in Fig. 5b), which belongs to the C 2V point group, the Raman ac- 3 1 , atoms belonging to the same species vibrate along opposite directions. Our measurements reveal that the most prominent Raman peaks for β-GeSe, γ-GeSe, δ-GeSe, and ε-GeSe are located at 272.9, 229.4, 77.6, and 50.6 cm −1 , respectively.…”

Section: Resultsmentioning

confidence: 99%

Structural and electronic properties of atomically thin germanium selenide polymorphs

et al. 2015

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tronic counterpart to the layered group V semiconductors [25]. Similarly, GeSe is an isoelectronic counterpart to the group V semiconductors and has the same layered structures. α-GeSe nanosheets have been synthesized by several methods and applied in photodetector devices [11,12]. The semiconducting electronic properties of α-GeSe have been confirmed by a recent theoretical investigation [26]. However, the stability and electronic properties of the GeSe monolayers in the other polymorphs have not been investigated. A systematic theoretical investigation of their structures and properties will not only enrich our understanding of the property variations of the polymorphs, but it will also facilitate potential applications. Despite some theoretical and experimental studies of α-GeSe being reported, many important questions still remain unknown: what are the stabilities of the GeSe monolayers in the different phases? How do the electronic properties vary with the different phase structures? In this work, we aim to answer these questions.In this work, by comprehensive density functional theory (DFT) calculations, we report the discovery of the four previously unknown phases of the GeSe monolayer in addition to layered α-GeSe: β-GeSe, γ-GeSe, δ-GeSe, and ε-GeSe. The five polymorphs of GeSe exhibit versatile energy band gaps, which are very significant for broadband optoelectronic and photonic applications. In particular, β-GeSe is an indirect band-gap semiconductor with a band gap of 3.01 eV calculated using the HSE06 exchange-correlation functional. From the band edge alignment, the conduction band minimum (CBM) and valence band maximum (VBM) energies of β-GeSe are −2.54 and −5.55 eV, respectively, which indicates that it is a promising material Using comprehensive density functional theory calculations, we systematically investigate the structure, stability, and electronic properties of five polymorphs of GeSe monolayer, and highlight the differences in their structural and electronic properties. Our calculations show that the five free-standing polymorphs of GeSe are stable semiconductors. β-GeSe, γ-GeSe, δ-GeSe, and ε-GeSe are indirect gap semiconductors, whereas α-GeSe is a direct gap semiconductor. We calculated Raman spectra and scanning tunneling microscopy images for the five polymorphs. Our results show that the β-GeSe monolaye r is a candidate for water splitting.

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“…To search for the ground state of the systems interested here, we must leave from PBE functional because previous studies have shown that PBE for black phosphorus and black arsenic cannot give a reliable prediction. 7,22 The key is that the electron-electron correlation is underestimated by PBE, we therefore turn to the investigations by HSE06. Within HSE06, the increase of magnetic moments and band gaps are obvious, while the total energy also gets more efficient reduction.…”

Section: Nanoribbons (Zvnrs)mentioning

confidence: 99%

“…8 In this area, magnetic elements are usually used to dope and substitute in the semiconductor. In consideration of the magnetism appearing at the edges of two-dimensional materials, such as graphene, 9,10 MoS 2 , 11 and ZnO 12 hence we turn to study the edged magnetism in one-dimensional zigzag Puckered group V monolayer (Vene) 7 …”

mentioning

confidence: 99%

Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons

Zhang

Wang

et al. 2016

AIP Advances

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The pursuit of controlled magnetism in semiconductors has been a persisting goal in condensed matter physics. Recently, Vene (phosphorene, arsenene and antimonene) has been predicted as a new class of 2D-semiconductor with suitable band gap and high carrier mobility. In this work, we investigate the edge magnetism in zigzag puckered Vene nanoribbons (ZVNRs) based on the density functional theory. The band structures of ZVNRs show half-filled bands crossing the Fermi level at the midpoint of reciprocal lattice vectors, indicating a strong Peierls instability. To remove this instability, we consider two different mechanisms, namely, spin density wave (SDW) caused by electron-electron interaction and charge density wave (CDW) caused by electron-phonon coupling. We have found that an antiferromagnetic Mott-insulating state defined by SDW is the ground state of ZVNRs. In particular, SDW in ZVNRs displays several surprising characteristics:1) comparing with other nanoribbon systems, their magnetic moments are antiparallelly arranged at each zigzag edge and almost independent on the width of nanoribbons; 2) comparing with other SDW systems, its magnetic moments and band gap of SDW are unexpectedly large, indicating a higher SDW transition temperature in ZVNRs; 3) SDW can be effectively modified by strains and charge doping, which indicates that ZVNRs have bright prospects in nanoelectronic device.

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Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

Cited by 677 publications

References 40 publications

Engineering multiple topological phases in nanoscale Van der Waals heterostructures: realisation of α-antimonene

Engineering multiple topological phases in nanoscale Van der Waals heterostructures: realisation of α-antimonene

Structural and electronic properties of atomically thin germanium selenide polymorphs

Spin density waves predicted in zigzag puckered phosphorene, arsenene and antimonene nanoribbons

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