Direct Observation of a<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">β</mml:mi></mml:math>-SiC(100)-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">c</mml:mi><mml:mo>(</mml:mo><mml:mn>4</mml:mn><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:mo>)</mml:mo></mml:math>Surface Reconstruction

Soukiassian, P.; Sèmond, F.; Douillard, Ludovic; Mayne, Andrew J.; Dujardin, Gérald; Pizzagalli, Laurent; Joachim, Christian

doi:10.1103/physrevlett.78.907

Cited by 135 publications

(159 citation statements)

References 15 publications

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“…Increasing the annealing temperature from 800ºC to 1300ºC causes the surface to undergo consecutive Si-terminated 5×2, c(4×2), 2×1, and C-terminated c(2×2) reconstructions in accordance with the results of Refs. [20][21][22][23][24][25][26]. Figures 1a-c show atomically resolved STM images of the 3×2, c(4×2) and c(2×2) reconstructions formed on our SiC(001) sample at the different stages of graphene synthesis.…”

Section: Resultsmentioning

confidence: 99%

Rotated domain network in graphene on cubic-SiC(001)

et al. 2014

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The atomic structure of the cubic-SiC(001) surface during ultra-high vacuum graphene synthesis has been studied using scanning tunneling microscopy (STM) and low-energy electron diffraction. Atomically resolved STM studies prove the synthesis of a uniform, millimeter-scale graphene overlayer consisting of nanodomains rotated by ±13.5° relative to the 〈110〉-directed boundaries. The preferential directions of the domain boundaries coincide with the directions of carbon atomic chains on the SiC(001)-c(2 × 2) reconstruction, fabricated prior to graphene synthesis. The presented data show the correlation between the atomic structures of the SiC(001)-c(2 × 2) surface and the graphene/SiC(001) rotated domain network and pave the way for optimizing large-area graphene synthesis on low-cost cubic-SiC(001)/Si(001) wafers.

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Section: Resultsmentioning

confidence: 99%

Rotated domain network in graphene on cubic-SiC(001)

et al. 2014

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“…2 The crystal structure of cubic SiC is the zincblende type and its ͑001͒ surface is silicon-terminated ͓Si-SiC ͑001͔͒ or carbon-terminated ͓C-SiC ͑001͔͒ due to the alternately stacked silicon and carbon layers. Recently, the structures of SiC ͑001͒ surfaces have been studied experimentally [2][3][4][5][6][7][8][9][10][11][12][13] and theoretically. 14 -33 The 2ϫ1 dimer row structures ͓Fig.…”

Section: Introductionmentioning

confidence: 99%

“…Interestingly, 4ϫ2 reconstructions are also observed on the Si-SiC ͑001͒ surfaces using STM measurements. 2,9,10 An alternating up down dimer 9,10,27 structure was proposed as a model of the 4ϫ2 reconstructions ͓Fig. 1͑b͔͒.…”

Section: Introductionmentioning

confidence: 99%

Multiconfigurational self-consistent field study of the silicon carbide (001) surface

Tamura

Gordon

2003

The Journal of Chemical Physics

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Multiconfigurational self-consistent field calculations have been performed to investigate structural and electronic properties of cubic siliconcarbide (001) (SiC (001)) surfaces. The dimer on silicon-terminated SiC (001) (Si-SiC (001)) is found to be diradical in nature, due to destabilization of the π bond by bending the dimer. Since the SiClattice constant is larger than that of diamond, the >C=C< dimer on the carbonterminated SiC (001) (C-SiC (001)) surface is flatter and its π bond is stronger than those on diamond (001). The bridging dimer on the C-SiC (001) exhibits relatively small multiconfigurational character despite its bent geometry. H2adsorption onto the Si-SiC (001) diradical dimer is more favorable than that onto the partial π bonded Si (001) dimer. As the dimer geometry becomes flatter, the π bond becomes stronger and the H2adsorption on the dimer becomes less favorable. Multiconfigurational self-consistent field calculations have been performed to investigate structural and electronic properties of cubic silicon carbide ͑001͒ ͑SiC ͑001͒͒ surfaces. The dimer on silicon-terminated SiC ͑001͒ ͑Si-SiC ͑001͒͒ is found to be diradical in nature, due to destabilization of the bond by bending the dimer. Since the SiC lattice constant is larger than that of diamond, the ϾCvCϽ dimer on the carbon-terminated SiC ͑001͒ ͑C-SiC ͑001͒͒ surface is flatter and its bond is stronger than those on diamond ͑001͒. The bridging dimer on the C-SiC ͑001͒ exhibits relatively small multiconfigurational character despite its bent geometry. H 2 adsorption onto the Si-SiC ͑001͒ diradical dimer is more favorable than that onto the partial bonded Si ͑001͒ dimer. As the dimer geometry becomes flatter, the bond becomes stronger and the H 2 adsorption on the dimer becomes less favorable.

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“…For silicon-rich surfaces (containing more silicon than the Si-terminated bulk structure), the series of reconstructions (3×2), (5×2), ...(n×2) has been observed 3,4 , while for less silicon-rich surfaces the c(4×2) [5][6][7][8][9] or (2×1) reconstructions are observed 10,11 . For C-terminated surfaces, the c(2×2) reconstruction is favoured 12,13 .…”

Section: Introductionmentioning

confidence: 99%

Series of(n×2)Si-rich reconstructions of β-SiC(001): A prospective atomic wire

2001

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We perform ab initio plane wave supercell density functional calculations on three candidate models of the (3×2) reconstruction of the β-SiC (001) surface. We find that the two-adlayer asymmetric-dimer model (TAADM) is unambiguously favored for all reasonable values of Si chemical potential. We then use structures derived from the TAADM parent to model the silicon lines that are observed when the (3×2) reconstruction is annealed (the (n×2) series of reconstructions), using a density-functional-tight-binding method. We find that as we increase n, and so separate the lines, a structural transition occurs in which the top addimer of the line flattens. We also find that associated with the separation of the lines is a large decrease in the HOMO-LUMO gap, and that the HOMO state becomes quasi-one-dimensional. These properties are qualititatively and quantitatively different from the electronic properties *

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Direct Observation of aβ-SiC(100)-c(4×2)Surface Reconstruction

Cited by 135 publications

References 15 publications

Rotated domain network in graphene on cubic-SiC(001)

Rotated domain network in graphene on cubic-SiC(001)

Multiconfigurational self-consistent field study of the silicon carbide (001) surface

Series of(n×2)Si-rich reconstructions of β-SiC(001): A prospective atomic wire

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