Electronic structures of silicene fluoride and hydride

Ding, Yi; Wang, Yanli

doi:10.1063/1.3688035

Cited by 172 publications

(165 citation statements)

References 28 publications

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“…Due to strong spin-orbit coupling (SOC), the quantum spin Hall effect may be observed in silicene in an experimentally accessible temperature regime [13]. A tunable band gap can be opened up to about 4 eV in silicene by applying a perpendicular electric field [21][22] and by hydrogenation [23][24][25][26], halogenation [27][28], and oxidation [29][30]. Owing to these excellent properties and easy integration into the current Si-based semiconductor technology, silicene holds great promise for future applications in nanoelectronic devices.…”

Section: Introductionmentioning

confidence: 99%

Point defects in epitaxial silicene on Ag(111) surfaces

Liu

Feng

et al. 2016

2D Mater.

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Silicene, a counterpart of graphene, has achieved rapid development due to its exotic electronic properties and excellent compatibility with the mature silicon-based semiconductor technology. Its low room-temperature mobility of ~100 cm2 V−1 s−1, however, inhibits device applications such as in field-effect transistors. Generally, defects and grain boundaries would act as scattering centers and thus reduce the carrier mobility. In this paper, the morphologies of various point defects in epitaxial silicene on Ag(111) surfaces have been systematically investigated using first-principles calculations combined with experimental scanning tunneling microscope (STM) observations. The STM signatures for various defects in epitaxial silicene on Ag(111) surface are identified. In particular, the formation energies of point defects in Ag(111)-supported silicene sheets show an interesting dependence on the superstructures, which, in turn, may have implications for controlling the defect density during the synthesis of silicene. Through estimating the concentrations of various point defects in different silicene superstructures, the mystery of the defective appearance of $\sqrt{13}\times \sqrt{13}$ and $2\sqrt{3}\times 2\sqrt{3}$ silicene in experiments is revealed, and 4 x 4 silicene sheet is thought to be the most suitable structure for future device applications. , however, inhibits device applications such as in field-effect transistors. Generally, defects and grain boundaries would act as scattering centers and thus reduce the carrier mobility. In this paper, the morphologies of various point defects in epitaxial silicene on Ag(111) surfaces have been systematically investigated using first-principles calculations combined with experimental scanning tunneling microscope (STM) observations. The STM signatures for various defects in epitaxial silicene on Ag(111) surface are identified. In particular, the formation energies of point defects in Ag(111)-supported silicene sheets show an interesting dependence on the superstructures, which, in turn, may have implications for controlling the defect density during the synthesis of silicene. Through estimating the concentrations of various point defects in different silicene superstructures, the mystery of the defective appearance of 13 × 13 and 2 3 ×2 3 silicene in experiments is revealed, and 4×4 silicene sheet is thought to be the most suitable structure for future device applications. Disciplines Engineering | Physical Sciences and Mathematics2

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Section: Introductionmentioning

confidence: 99%

Point defects in epitaxial silicene on Ag(111) surfaces

Liu

Feng

et al. 2016

2D Mater.

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“…Silicene shares many important properties with graphene, especially the most fascinating one: the Dirac-type dispersions at the Fermi surface, which is shown by both first-principles calculations [7][8][9][10][11][12][13][14] and the measurements from different experiments. 1,3,4 Other than the similarity with graphene, silicene has its own advantages.…”

Section: Introductionmentioning

confidence: 99%

Strain induced phase transitions in silicene bilayers: a first principles and tight-binding study

Lian

2013

AIP Advances

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Using first principles and tight-binding calculations, we have investigated the structures of silicene bilayers under the isotropic tensile strain. We find that (i) the strain induce several barrierless phase transitions. (ii) After the phase transitions, the bilayer structures become planar, similar with the AA-stacking graphene bilayers, but combined with the strong covalent interlayer bonds. The tight-binding results demonstrate that this silicene bilayer is characterized by intralayer sp2 hybridization and the interlayer sp1 hybridization. (iii) The electronic properties of the silicene bilayers change from semiconducting to metallic with the increase of strain

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“…It has been found that fluorinated silicene is more stable than silicane and with a smaller bandgap. 52,55 Bromine was found to lead to even more interesting behavior. 59 Half-brominated silicene is an antiferromagnetic half-metal, whereby one spin channel is metallic, and the other is semiconducting with a 1.73 eV energy gap.…”

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confidence: 99%

Is silicene the next graphene?

Voon

Guzmán-Verri

2014

MRS Bull.

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This article reviews silicene, a relatively new allotrope of silicon, which can also be viewed as the silicon version of graphene. Graphene is a two-dimensional material with unique electronic properties qualitatively different from those of standard semiconductors such as silicon. While many other two-dimensional materials are now being studied, our focus here is solely on silicene. We first discuss its synthesis and the challenges presented. Next, a survey of some of its physical properties is provided. Silicene shares many of the fascinating properties of graphene, such as the so-called Dirac electronic dispersion. The slightly different structure, however, leads to a few major differences compared to graphene, such as the ability to open a bandgap in the presence of an electric field or on a substrate, a key property for digital electronics applications. We conclude with a brief survey of some of the potential applications of silicene.

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Electronic structures of silicene fluoride and hydride

Cited by 172 publications

References 28 publications

Point defects in epitaxial silicene on Ag(111) surfaces

Point defects in epitaxial silicene on Ag(111) surfaces

Strain induced phase transitions in silicene bilayers: a first principles and tight-binding study

Is silicene the next graphene?

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