Quantum spin hall insulators in strain-modified arsenene

Zhang, Haijun; Ma, Yandong; Chen, Zhongfang

doi:10.1039/c5nr05006e

Cited by 157 publications

(106 citation statements)

References 59 publications

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“…We calculated the direct band gap E g−d = 0.68 eV and the indirect band gap E g−i = 0.75 eV for = 12% within PBE-SOC. Apparently, the negative band gap revealed by Zhang et al [14] in PBE calculation at = 12%, which is taken as the indication of quantum spin Hall effect, did not occur.…”

Section: Effects Of Biaxial and Uniaxial Strainmentioning

confidence: 95%

Stability of single-layer and multilayer arsenene and their mechanical and electronic properties

2016

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Using first-principles spin-polarized density functional theory, we carried out an analysis on the atomic structure, stability, energetics, and mechanical and electronic properties of single-layer structures of arsenene. These are buckled honeycomb, symmetric, and asymmetric washboard arsenene structures. Our analysis is extended to include layered three-dimensional crystalline phase of arsenic, as well as bilayer and trilayer structures to reveal dimensionality effects. The buckled honeycomb and symmetric washboard structures are shown to maintain their stability at high temperatures even when they are freestanding. As a manifestation of the confinement effect, the large fundamental band gap of single-layer phases decreases with increasing number of layers and eventually is closed. Concomitantly, lattice constants partially increase, while interlayer distances decrease. The effects of hybrid functional or self-energy corrections together with the spin-orbit coupling on the electronic structure of arsenene are crucial. The responses of direct and indirect band gaps to biaxial or uniaxial strain are rather complex and directional; while the fundamental band gap decreases and changes from indirect to direct with the biaxial strain applied to buckled arsenene, these effects are strongly directional for washboard arsenene. The width and the indirect/direct character of the band gap can be tuned by the number of layers, as well as by applied uniaxial/biaxial strain.

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Section: Effects Of Biaxial and Uniaxial Strainmentioning

confidence: 95%

Stability of single-layer and multilayer arsenene and their mechanical and electronic properties

2016

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“…Strain effects on the electronic structure have been discussed in several papers 17 -19,,23,25,28 . Apart from a possible conversion to a direct band gap semiconductor, strain has also been studied as a means to transform arsenene to a topological insulator (TI) and to achieve a quantum spin Hall (QSH) phase 23,27,28 .…”

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confidence: 99%

Experimental evidence of monolayer arsenene: an exotic 2D semiconducting material

et al. 2020

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Group V element analogues of graphene have attracted a lot attention recently due to their semiconducting band structures, which make them promising for next generation electronic and optoelectronic devices based on two-dimensional materials. Theoretical investigations predict high electron mobility, large band gaps, band gap tuning by strain, formation of topological phases, quantum spin Hall effect at room temperature, and superconductivity amongst others. Here, we report a successful formation of freestanding like monolayer arsenene on Ag(111). This was concluded from our experimental atomic and electronic structure data by comparing to results of our theoretical calculations. Arsenene forms a buckled honeycomb layer on Ag(111) with a lattice constant of 3.6 Å showing an indirect band gap of ~1.4 eV as deduced from the position of the Fermi level pinning.The isolation of two-dimensional (2D) carbon in the form of a single layer honeycomb structure (graphene) 1 was the starting point of today's intensive research on various 2D materials. In particular, the electronic properties, i.e., the high conductivity in combination with the linear dispersion of the -band, forming a Dirac cone, are highly interesting for applications in nanoelectronics 2 . However, this utilization of graphene is severely hampered by the lack of an intrinsic band gap, which it shares with graphene like structures of other group IV atoms, i.e., Si, Ge, and Sn 3 .

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“…Diverse allotropes of arsenene have been studied more with a focus on their structural, mechanical, and electronic properties, where arsenene and antimonene were also found to display high carrier mobility, superior mechanical properties, negative Poisson's ratio, and possible topological phase transition features in themselves [19][20][21][22][23][24][25][26][27]. The layered three-dimensional (3D) phase of arsenic, i.e., gray arsenic, presents strong evidence that single-layer arsenic can exist as a local minima in the Born-Oppenheimer surface.…”

Section: Introductionmentioning

confidence: 99%

Optical properties of single-layer and bilayer arsenene phases

2016

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An extensive investigation of the optical properties of single-layer buckled and washboard arsenene and their bilayers was performed, starting from layered three-dimensional crystalline phase of arsenic using density functional and many-body perturbation theories combined with random phase approximation. Electron-hole interactions were taken into account by solving the Bethe-Salpeter equation, suggesting first bound exciton energies on the order of 0.7 eV. Thus, many-body effects were found to be crucial for altering the optical properties of arsenene. The light absorption of single-layer and bilayer arsenene structures in general falls within the visible-ultraviolet spectral regime. Moreover, directional anisotropy, varying the number of layers, and applying homogeneous or uniaxial in-plane tensile strain were found to modify the optical properties of two-dimensional arsenene phases, which could be useful for diverse photovoltaic and optoelectronic applications.

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Quantum spin hall insulators in strain-modified arsenene

Cited by 157 publications

References 59 publications

Stability of single-layer and multilayer arsenene and their mechanical and electronic properties

Stability of single-layer and multilayer arsenene and their mechanical and electronic properties

Experimental evidence of monolayer arsenene: an exotic 2D semiconducting material

Optical properties of single-layer and bilayer arsenene phases

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