Effect of external strain on electronic structure of stanene

Modarresi, M.; Kakoee, Alireza; Moğulkoç, Y.; Roknabadi, Mahmood Rezaee

doi:10.1016/j.commatsci.2015.01.039

Cited by 96 publications

(68 citation statements)

References 26 publications

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“…1. The buckling length for monolayer is 1.23 Å which is comparable with previous reports [21] and stanene buckling length [3]. All the structural parameters have also shown in Table 1.…”

Section: Resultssupporting

confidence: 88%

“…In addition, the low energy peaks are caused by the near-band transitions. The calculated refractive index nðxÞ, extinction coefficients kðxÞ, energy loss function LðxÞand reflectivity RðxÞare estimated by Kramers-Kronig relations [3] and given in Eq. (2).…”

Section: Resultsmentioning

confidence: 99%

“…After the discovery of graphene [1], other 2D nano-structures were predicted theoretically [2][3][4] and synthesized in laboratory [5][6][7]. Among these, the monolayer black phosphorus, 2D puckered structure of phosphorus, which was also successfully fabricated in laboratory [8,9] and studied with several theoretical works [10][11][12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

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Electronic and optical properties of bilayer blue phosphorus

Moğulkoç

Modarresi

Moğulkoç

et al. 2016

Computational Materials Science

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a b s t r a c tWe investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB Hamiltonian for monolayer and bilayer blue phosphorus by using the DFT results. The variation of energy band gap with applied external electric field for two different stacks of bilayer blue phosphorus are also shown. We examine the linear response of the systems due to the external electromagnetic radiation in terms of the dielectric functions in the DFT theory. The relatively large electronic band gap and possibility of exfoliation form bulk structure due to weak interlayer coupling, make blue phosphorus an appropriate candidate for future electronic devices.

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“…1. The buckling length for monolayer is 1.23 Å which is comparable with previous reports [21] and stanene buckling length [3]. All the structural parameters have also shown in Table 1.…”

Section: Resultssupporting

confidence: 88%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Electronic and optical properties of bilayer blue phosphorus

Moğulkoç

Modarresi

Moğulkoç

et al. 2016

Computational Materials Science

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“…We calculate the in-plane stiffness Y s = (1/A 0 )(∂ 2 E/∂ε 2 ) where A 0 is the equilibrium area of the unit cell. We obtain the Y s = 60N/m which is much smaller than graphene's in-plane stiffness [27,39,40] and is about twice of pure single layer stanene [28] The binding energy between two fluorinated layers which is expressed as in equation 1,…”

Section: Resultsmentioning

confidence: 99%

“…Due to the relatively large atomic mass of tin atoms the intrinsic spin-orbit interaction opens an energy gap in the electronic structure of stanene which is around 70 meV [24,28]. Theoretical calculations predict a larger gap for halogenated monolayer [24] and ethynyle-derivative [4] stanene, as well as chemically decorated plumbene [5], that suggest these structures for application in nanodevices based on topological insulators.…”

Section: Introductionmentioning

confidence: 99%

Semimetal behavior of bilayer stanene

Evazzade

Roknabadi

Morshedloo

et al. 2017

Physica E: Low-dimensional Systems and Nanostructures

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Stanene is a two-dimensional (2D) buckled honeycomb structure which has been studied recently owing to its promising electronic properties for potential electronic and spintronic applications in nanodevices. In this article we present a first-principles study of electronic properties of fluorinated bilayer stanene. The effect of tensile strain, intrinsic spin-orbit and van der Waals interactions are considered within the framework of density functional theory. The electronic band structure shows a very small overlap between valence and conduction bands at the Γ point which is a characteristic of semimetal in fluorinated bilayer stanene. A relatively high value of tensile strain is needed to open an energy band gap in the electronic band structure and the parity analysis reveals that the strained nanostructure is a trivial insulator. According to our results, despite the monolayer fluorinated stanene, the bilayer one is not an appropriate candidate for topological insulator.

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