Additional dimer-row structure of 3<i>C</i>-SiC(001) surfaces observed by scanning tunneling microscopy

Hara, Shiro; Misawa, S.; Yoshida, Sadafumi; Aoyagi, Yoshinobu

doi:10.1103/physrevb.50.4548

Cited by 65 publications

(78 citation statements)

References 18 publications

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“…1͒. 1,11 Another model, the so called Yan-Semond ͑YS͒ model, has a 2ϫ3 unit cell with 1 3 ML of Si addimers on the Si termination layer. 1,12 While the YS model was recently supported by an STM study, 12 we reported that only the DH model can explain the Si 2p surface components observed, 13 and further, the surface-state band structure is consistently interpreted within the DH model.…”

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confidence: 99%

“…9,10 In spite of vigorous investigations performed so far, the atomic structures of the reconstructions of SiC surfaces are still not clear, especially for the Si-rich and Si-terminated 3C-SiC(001) surfaces. 1,2 In particular, the Si-rich 3C-SiC(001)3ϫ2 surface structure [11][12][13][14][15][16][17] is currently under significant debate with three contradicting structure models of different Si coverages and even different unit-cell orientations. The so-called Dayan-Hara ͑DH͒ model has 2 3 ML of Si addimers with a 3ϫ2 orientation on top of the Si termination layer ͑see Fig.…”

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confidence: 99%

“…1͑a͔͒. 11,13,14 Hydrogen adsorption was performed by exposing a fresh 3ϫ2 surface at room temperature to H 2 gas activated by a hot W filament.…”

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Hydrogen-induced3×1phase of the Si-rich3C−SiC(001)surface

et al. 2000

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Hydrogen-induced3×1phase of the Si-rich3C−SiC(001)surface

et al. 2000

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“…However, though it appears consistent with several experimental data, both empirical [33] and ab initio [20] calculations have shown that it is not energetically favored. Furthermore, STM investigations do not support this model [24,31]. Another f coverage model, the ALTernate dimer-row (ALT), was proposed by Yan et al [20].…”

Section: Si Adsorptionmentioning

confidence: 99%

THEORETICAL STUDY OF Si and N ADSORPTION ON THE Si-TERMINATED SiC(001) SURFACE

Pizzagalli

Catellani²,

Galli

et al. 1999

Surf. Rev. Lett.

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We report the results of first principles molecular dynamics simulations of the adsorption of Si and N atoms on a Si-terminated p(2×1) SiC(001) surface. In particular, we discuss different structural models for the Si-rich (3×2) surface, and the adsorption of 1/8, 1/2 and 1 monolayer nitrogen on the p(2×1) surface. Our simulations show that a SiC(001)-p(2×1) surface covered by a nitrogen monolayer is an inert substrate which inhibits growth.

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“…The surface lattice vector of the β-SiC (001) surface is 3.08Å. Thus it is believed that these lines are formed from the same structural components as the silicon-rich (3×2) reconstruction, of which there are several models (see figures 1-3): the additional dimer row model (ADRM) 18,19 , the double dimer row model (DDRM) 20,21 and the two-adlayer asymmetric-dimer model (TAADM) 22 .…”

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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Additional dimer-row structure of 3C-SiC(001) surfaces observed by scanning tunneling microscopy

Cited by 65 publications

References 18 publications

Hydrogen-induced3×1phase of the Si-rich3C−SiC(001)surface

Hydrogen-induced3×1phase of the Si-rich3C−SiC(001)surface

THEORETICAL STUDY OF Si and N ADSORPTION ON THE Si-TERMINATED SiC(001) SURFACE

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

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