Structure determination of multilayer silicene grown on Ag(111) films by electron diffraction: Evidence for Ag segregation at the surface

Shirai, Tomohiro; Shirasawa, Tetsuroh; Hirahara, Toru; Fukui, Naoya; Takahashi, Toshio; Hasegawa, Shuji

doi:10.1103/physrevb.89.241403

Cited by 88 publications

(76 citation statements)

References 37 publications

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“…3STM structure via depositing Si atoms on the ultra-thin Ag(111) film grown on the Si(111) surface [62]. They found the proposed models that only consider buckling of silicon atoms fail to explain their LEED experimental data, and thus proposed a new model: diamond silicon terminated with the Si(111) × 3…”

Section: Resultsmentioning

confidence: 99%

Crossover between silicene and ultra-thin Si atomic layers on Ag(111) surfaces

Guo

Oshiyama

2015

New J. Phys.

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We report on total-energy electronic structure calculations in the density-functional theory performed for the ultra-thin atomic layers of Si on Ag(111) surfaces. We find several distinct stable silicene structures:7with the thickness of Si increasing from monolayer to quad-layer. The structural bistability and tristability of the multilayer silicene structures on Ag surfaces are obtained, where the calculated transition barriers infer the occurrence of the flip-flop motion at low temperature. The calculated scanning tunneling microscope (STM) images agree well with the experimental observations. We also find the stable existence of 2 × 1 π-bonded chain and 7 × 7 dimeradatom-stacking fault Si(111)-surface structures on Ag (111), which clearly shows the crossover of silicene-silicon structures for the multilayer Si on Ag surfaces. We further find the absence of the Dirac states for multilayer silicene on Ag(111) due to the covalent interactions of the silicene-Ag interface and Si-Si interlayer. Instead, we find a new state near the Fermi level composed of π orbitals located on the surface layer of × 33multilayer silicene, which satisfies the hexagonal symmetry and exhibits the linear energy dispersion. By examining the electronic properties of 2 × 1 π-bonded chain structures, we find that the surface-related π states of multilayer Si structures are robust on Ag surfaces.

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Section: Resultsmentioning

confidence: 99%

Crossover between silicene and ultra-thin Si atomic layers on Ag(111) surfaces

Guo

Oshiyama

2015

New J. Phys.

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“…Very recently, Shirai et al [64] have provided an explanation to rationalize the inconsistency between the results of Chen et al and Arafune et al based on the structural model which is very similar to that of the Si (1 1 1…”

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confidence: 80%

Silicene on Ag(111): Geometric and electronic structures of a new honeycomb material of Si

Takagi

Lin

Kawahara

et al. 2015

Progress in Surface Science

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“…They further suggested that the S 1 band of the Si(111)ͱ3 Â ͱ3-Ag surface could be fitted by a linear dispersion in the unoccupied states. The linear slope of the S 1 band gives a Fermi velocity close to that one in the STM study of ͱ3 silicene, 27 although the effective mass (0.59m 0 ; m 0 is the rest mass of electron) of the dispersion of the ͱ3 silicene in ARPES 30,32 was larger than that of the intrinsic S 1 band (0.13m 0 ) of the Si(111)ͱ3 Â ͱ3-Ag surface. 33 Even though the present study was conducted at the Si(111)ͱ3 Â ͱ3-Ag surface instead of the Ag(111) surface, the results indicate that once the ͱ3 Â ͱ3-Ag reconstruction has been established, Ag atoms always segregate and form a ͱ3 Â ͱ3-Ag reconstruction at the top of the Si layers in the subsequent growth of Si at temperatures suitable for the epitaxial growth of silicene on Ag(111) surface.…”

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confidence: 82%

Surfactant role of Ag atoms in the growth of Si layers on Si(111)√3×√3-Ag substrates

Yamagami

Sone

Nakatsuji

et al. 2014

Applied Physics Letters

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The growth of Si layers on Si(111)√3×√3-Ag substrates was studied for coverages of up to a few mono-layers. Atomically flat islands were observed to nucleate in the growth at 570 K. The top surfaces of the islands were covered in Ag atoms and exhibited a √3×√3 reconstruction with the same surface state dispersions as Si(111)√3×√3-Ag substrates. These results indicate that the Ag atoms on the substrate always hop up to the top of the Si layers.

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Structure determination of multilayer silicene grown on Ag(111) films by electron diffraction: Evidence for Ag segregation at the surface

Cited by 88 publications

References 37 publications

Crossover between silicene and ultra-thin Si atomic layers on Ag(111) surfaces

Crossover between silicene and ultra-thin Si atomic layers on Ag(111) surfaces

Silicene on Ag(111): Geometric and electronic structures of a new honeycomb material of Si

Surfactant role of Ag atoms in the growth of Si layers on Si(111)√3×√3-Ag substrates

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