Graphene-like bilayer hexagonal silicon polymorph

Bai, Jaeil; Tanaka, Hideki; Zeng, Xiao Cheng

doi:10.1007/s12274-010-0032-6

Cited by 47 publications

(59 citation statements)

References 40 publications

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“…The past three years have witnessed a burst in silicene research: Single-layer silicene (SLS) has been experimentally grown on Ag(111) and other substrates [5][6][7][8][9][10][11][12][13][14][15][16][17] . Multilayer silicene (MLS) also draws intensive attentions, e.g., in chiral superconducting behavior 18 , valley-polarized quantum Hall effect 19 , and dramatically tunable electronic structure by varying stacking modes 20,21 . By now, MLS films have been grown by several groups on Ag(111) using molecular beam epitaxy (MBE) [22][23][24][25][26][27][28] .…”

Section: Introductionmentioning

confidence: 99%

Multilayered silicene: the bottom-up approach for a weakly relaxed Si(111) with Dirac surface states

Chen

et al. 2015

Nanoscale

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Combining first principles investigations and scanning tunneling microscopy, we identify that the presumable van der Waals packed multilayered silicene sheets spontaneously transform into a diamond-structure bulk Si film due to strong interlayer couplings. In contrast to drastic surface reconstruction on conventional Si(111), multilayered silicene prepared by bottom-up epitaxy on Ag(111) exhibits a nearly ideal flat surface with only weak buckling. Without invoking Ag surfactants, √3 ×√3 honeycomb patterns emerge thanks to dynamic fluctuation of mirror-symmetric rhombic phases, similar to monolayered silicene [Chen et al., Phys. Rev. Lett., 2013, 110, 085504]. The weak relaxation enables novel surface states with a Dirac linear dispersion.

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Section: Introductionmentioning

confidence: 99%

Multilayered silicene: the bottom-up approach for a weakly relaxed Si(111) with Dirac surface states

Chen

et al. 2015

Nanoscale

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“…15,16 Unlike bilayer graphene, whose most stable structure is AB (Bernal) stacking with van der Waals interlayer interactions, BLS nanosheet has been predicted to have a wide variety of morphologies due to the possible interlayer covalent bonds. [17][18][19][20] For instance, the common used theoretical BLS model also has AB stacking mode with half of the Si atoms connected by interlayer covalent bonds. For example, Yao et al found this structure holds interesting electronic properties such as chiral superconducting behavior.…”

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confidence: 99%

Stacking-dependent electronic structure of bilayer silicene

Zhang

Ding

et al. 2014

Applied Physics Letters

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Bilayer silicene (BLS) is a class of material that possibly holds both topological and superconducting properties; however, its structure is not fully understood. By scanning stacking modes and lattice constants using first principles calculations, several meta-stable configurations are identified, including a slightly faulted-AA packing structure, named slide-2AA. Different from the metallic properties of conventional AA and AB stacking forms, band structure of slide-2AA bilayer presents a sizeable indirect energy gap of ∼1.16 eV. A metal-semiconductor phase transition along the sliding pathway with a small energy barrier is also observed, indicating its electronic properties can be easily tuned by applying small shear force along the BLS surface plane. Such unique quantitative relationship of structure and electronic properties has profound implications in nanoelectronics and electromechanical devices.

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“…Despite the extensive studies on monolayer silicene [15][16][17][18][19][20], the investigation on multilayer silicene is far from its sufficiency. Although a few theoretical investigations have been performed on the freestanding bilayer silicene [21][22][23][24], the mechanism for the relative stability among the obtained phases has not been understood.…”

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confidence: 99%

Structural evolution and optoelectronic applications of multilayer silicene

et al. 2015

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Despite the recent progress on two-dimensional multilayer materials (2DMM) with weak interlayer interactions, the investigation on 2DMM with strong interlayer interactions is far from its sufficiency. Here we report on first-principles calculations that clarify the structural evolution and optoelectronic properties of such a 2DMM, multilayer silicene. With our newly developed global optimization algorithm, we discover the existence of rich dynamically stable multilayer silicene phases, the stability of which is closely related to the extent of sp 3 hybridization that can be evaluated by the average bonds and effective bond angles. The stable Si(111) surface structures are obtained when the silicene thickness gets up to four, showing the critical thickness for the structural evolution. We also find that the multilayer silicene with π-bonded surfaces present outstanding optoelectronic properties for the solar cells and optical fiber communications due to the incorporation of sp 2 -type bonds in the sp 3 -type bonds dominated system. This study is helpful to complete the picture of structure and related property evolution of 2DMM with strong interlayer interactions.

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Graphene-like bilayer hexagonal silicon polymorph

Cited by 47 publications

References 40 publications

Multilayered silicene: the bottom-up approach for a weakly relaxed Si(111) with Dirac surface states

Multilayered silicene: the bottom-up approach for a weakly relaxed Si(111) with Dirac surface states

Stacking-dependent electronic structure of bilayer silicene

Structural evolution and optoelectronic applications of multilayer silicene

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