Reexamination of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Si</mml:mi><mml:mn /><mml:mo>(</mml:mo><mml:mn>111</mml:mn><mml:mo>)</mml:mo><mml:mn>3</mml:mn><mml:mo>×</mml:mo><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi mathvariant="normal">Na</mml:mi></mml:math>reconstruction on the basis of Si atom density and unit cluster determination

Саранин, А. А.; Зотов, А. В.; Lifshits, V.G.; Ryu, Jeong-Tak; Kubo, Osamu; Tani, H.; Harada, T.; Katayama, Mitsuhiro; Oura, Kenjiro

doi:10.1103/physrevb.58.3545

Cited by 39 publications

(16 citation statements)

References 23 publications

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“…The similar reconstruction of the Si(111)3ϫ1-AEM LEED phase to the Si(111) 3ϫ1-AM surface was suggested based on the similarities in the LEED I-V curve observed for Mg. 4 The top Si atom densities measured for Mg and Ca, 13,14 which were the same as those for Na and Li, 10,15 supported the similarity in the reconstruction structure. The metal coverage has been assumed to be 1/3 monolayer ͑ML͒, the same as that of Si(111)3ϫ1-AM.…”

Section: Introductionmentioning

confidence: 59%

Atomic structure of the Ba-inducedSi(111)3×2reconstruction studied by LEED, STM, andab initiocalculations

Lee

Kim

et al. 2003

Phys. Rev. B

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We study the atomic structure of the Si(111)3ϫ2-Ba surface using low-energy electron diffraction ͑LEED͒, scanning tunneling microscopy ͑STM͒, and ab initio calculations. A 3ϫ2 periodicity is observed not only in STM but also in LEED. From dual-bias STM imaging and total-energy calculations, the recently proposed honeycomb chain-channel ͑HCC͒ structure ͓G. Lee et al., Phys. Rev. Lett. 87, 056104 ͑2001͔͒ is confirmed to be the most favorable among various candidate structures. Calculations varying Ba-Ba distance in the channel show that the Ba atoms interact repulsively. Diffusion of Ba atoms along the channel, occurring in a concerted manner, is found to be unlikely at room temperature. This is consistent with the STM observation that the Ba atoms occupy specific sites. However, some static disorder in site occupation is observed and shown to be energetically probable. We suggest that the Si͑111͒ surface has a tendency towards the 3ϫ1-HCC reconstruction when one electron per 3ϫ1 unit are supplied and fully saturate the Si dangling bonds.

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Section: Introductionmentioning

confidence: 59%

Atomic structure of the Ba-inducedSi(111)3×2reconstruction studied by LEED, STM, andab initiocalculations

Lee

Kim

et al. 2003

Phys. Rev. B

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“…2(b) in Ref. [29]). Recently, it has been found that Tl induces the 3 · 1 reconstruction [27,39] similar to the 3 · 1 reconstruction known for the monovalent metals.…”

Section: Resultsmentioning

confidence: 84%

“…In the STM study of Ref. [29], it has been shown that the main structural element of the 3 · 1 reconstruction is a unit cluster which shows up in the filled states as a group of four protrusions forming a rectangle with a size of about ffiffi ffi 3 p a Â 1a (a = 3.84 Å , the Si(1 1 1) surface period). Zigzaglike stacking of these unit clusters produces the 3 · 1 reconstruction.…”

Section: Resultsmentioning

confidence: 99%

“…The new type of a cluster is believed to be related to the building block of the 3 · 1-Tl reconstruction. Generally, the Si(1 1 1)3 · 1 reconstruction is typical for the monovalent alkali metals, Li [30][31][32][33], Na [33,34,29,35] and K [33,36,37]. Atomic arrangement of the 3 · 1 phase has been established to be described best by the so-called honeycomb chain-channel (HCC) model [38], in which top Si atoms (4/3 ML) form a planar honeycomb chains parallel to the surface while the metal atoms form rows in between these chains.…”

Section: Resultsmentioning

confidence: 99%

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Diverse magic nanoclustering in submonolayer Tl/Si(111) system

et al. 2006

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“…22 Furthermore, more recent experimental data indicate that 4/3 monolayer(ML) of Si atoms are incorporated on these reconstuction surfaces. 1,9 However, the controversy continues concerning the number of indium atoms on Si(111)-4 ð 1, 12 -17 and a theoretical analysis of this system has not been presented.…”

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confidence: 98%

Row structure in metal‐induced Si(111) surface reconstructions

Jin

Sanders

Shao-Hua

et al. 2001

Surface & Interface Analysis

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We demonstrate that quantum size effects play a crucial role in the row structure of metal-induced Si KEYWORDS: models of surface kinetics; quantum effects; surface relaxation and reconstruction; metalsemiconductor interfacesThe reconstruction of the Si(111) surface is a well-known process that has been the subject of numerous experimental and theoretical studies. However, metal-induced reconstruction of Si(111) continues to present theoretical challenges, particularly concerning the coverage-dependent structural arrangements. In such systems a submonolayer of metal atoms is deposited onto the Si(111) surface, resulting in a reconstruction of the Si(111) surface and arrangement of the metal adsorbate into rows of monolayer height.1 -17 Using scanning tunnelling microscopy, these rows are visible and both the height and width of the rows are evident. We introduce here a theoretical model that demonstrates that the quantum size effect plays a crucial role in determining the widths of these rows, and we show that our model provides complete agreement with all recent metal-induced M/Si(111)-3 ð 1 reconstructions (where M D Li, Na, K, Rb, Ag) and Si(111)-4 ð 1-In reconstructions. The quantum size effect has proved to be a crucial element in understanding and modelling the work function, 18 resistivity 19 and stability 20 of metallic thin films, and in the pattern formation of metal-on-metal surfaces. 21 The quantum size effect has proved to be a valuable tool for studying small, confined free-electron systems, and our application to metal-induced reconstruction of Si(111) surfaces represents another success of this approach.

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Reexamination of theSi(111)3×1−Nareconstruction on the basis of Si atom density and unit cluster determination

Cited by 39 publications

References 23 publications

Atomic structure of the Ba-inducedSi(111)3×2reconstruction studied by LEED, STM, andab initiocalculations

Atomic structure of the Ba-inducedSi(111)3×2reconstruction studied by LEED, STM, andab initiocalculations

Diverse magic nanoclustering in submonolayer Tl/Si(111) system

Row structure in metal‐induced Si(111) surface reconstructions

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