Structural model for the Si(111)-4<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>×</mml:mo></mml:math>1-In reconstruction

Саранин, А. А.; Зотов, А. В.; Ignatovich, K.V.; Lifshits, V.G.; Numata, T.; Kubo, Osamu; Tani, H.; Katayama, Mitsuhiro; Oura, Kenjiro

doi:10.1103/physrevb.56.1017

Cited by 48 publications

(38 citation statements)

References 28 publications

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“…The room-temperature (RT) 4×1 structure of the In/Si (111) confirmed by ab-initio calculations [3,4,5] which reproduce the scanning tunneling microscopy (STM) images [6,7], and the main features of the band structure.…”

Section: Introductionmentioning

confidence: 89%

“…The electronic correlations and the coupling between electronic and structural degrees of freedom are enhanced in one-dimension and, as a consequence, several electronic and structural phase transitons are observed in these systems as the temperature is decreased. A nice example of this behavior is found in the In/Si(111) system, which exhibits a 4×1 → 4×2 → 8×2 structural transition accompanied by a metal-insulator electronic transition.The room-temperature (RT) 4×1 structure of the In/Si (111) confirmed by ab-initio calculations [3,4,5] which reproduce the scanning tunneling microscopy (STM) images [6,7], and the main features of the band structure.At RT the system presents three metallic surface bands with similar dispersion [8]. However, when the temperature is lowered below ∼ 130 K [9] photoemission shows the formation of a band gap.…”

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confidence: 89%

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Metal–insulator transition in the In/Si(111) surface

2006

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The metal-insulator transition observed in the In/Si(111)-4×1 reconstruction is studied by means of ab initio calculations of a simplified model of the surface. Different surface bands are identified and classified according to their origin and their response to several structural distortions. We support the, recently proposed [New J. of Phys. 7 (2005) 100], combination of a shear and a Peierls distortions as the origin of the metal-insulator transition. Our results also seem to favor an electronic driving force for the transition.Quasi one-dimensional reconstructions formed by metal deposition on Si(111) have been intensively studied in recent years. The electronic correlations and the coupling between electronic and structural degrees of freedom are enhanced in one-dimension and, as a consequence, several electronic and structural phase transitons are observed in these systems as the temperature is decreased. A nice example of this behavior is found in the In/Si(111) system, which exhibits a 4×1 → 4×2 → 8×2 structural transition accompanied by a metal-insulator electronic transition.The room-temperature (RT) 4×1 structure of the In/Si (111) confirmed by ab-initio calculations [3,4,5] which reproduce the scanning tunneling microscopy (STM) images [6,7], and the main features of the band structure.At RT the system presents three metallic surface bands with similar dispersion [8]. However, when the temperature is lowered below ∼ 130 K [9] photoemission shows the formation of a band gap. This transition is accompanied with a doubling of the unit cell in the STM images [9]. The low temperature (LT) phase has been widely studied experimentally [10,11,12,13]. Although several results seem to favor a model where the indium wires suffer a strong dimerization and break-up into trimers, the question is still far from settled. In fact, most ab-initio calculations find metallic structures which are only slightly distorted with respect to the RT phase [5,14]. Thus, the driving force behind the combined metal-insulator and structural transition remains unclear.Recently, an interesting mechanism for the

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Section: Introductionmentioning

confidence: 89%

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confidence: 89%

Metal–insulator transition in the In/Si(111) surface

2006

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“…1 Adsorbed hydrogen was found to displace the indium atoms. [9][10][11] Filled-state STM images of the hydrogenated substrate show a (4×1) reconstruction with straight chains instead of the broad zigzag chains on the indium-terminated surface. 9-11 From these observations and results found in the literature Saranin et al 9 proposed a structural model.…”

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confidence: 99%

“…[9][10][11] Filled-state STM images of the hydrogenated substrate show a (4×1) reconstruction with straight chains instead of the broad zigzag chains on the indium-terminated surface. 9-11 From these observations and results found in the literature Saranin et al 9 proposed a structural model. This model as well as the model derived by Collazo-Davila et al 12 by applying direct methods to transmission electron diffraction (TED) data are at variance with the x-ray photoelectron spectroscopy (XPS) results of Abukawa et al 13 Since the core-level spectra did not show peaks corresponding to surface silicon atoms a complex substrate reconstruction can be ruled out.…”

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confidence: 99%

Structure determination of the indium-inducedSi(111)−(4×1)reconstruction by surface x-ray diffraction

et al. 1999

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A detailed structural model for the indium-induced Si(111)-(4×1) surface reconstruction has been determined by analyzing an extensive set of x-ray-diffraction data recorded with monochromatic (hω = 9.1 keV) synchrotron radiation. The reconstruction is quasi-one-dimensional. The main features in the structure are chains of silicon atoms alternating with zigzag chains of indium atoms on top of an essentially unperturbed silicon lattice. The indium coverage corresponds to one monolayer. The structural model consistently explains all previously published experimental data.Considerable interest has focused recently on adsorbate-induced modification of semiconductor surfaces as a technique to create nanoscale quantum structures of high perfection. In this paper we report the formation of quasi-one-dimensional (1d) chains on the (4×1)-reconstructed Si(111) surface induced by the adsorption of indium and present the atomic structure as determined by surface x-ray diffraction (SXRD). In direct 3 and inverse 4 photoemission investigations on single-domain samples and recently in inverse photoemission investigations on a three-domain sample 5 the Si(111)-(4×1)-In reconstruction showed a quasi-1d metallic behavior. Additionally to this interesting electronic property the surface exhibits an image state that also showed quasi-1d behavior in its strongly anisotropic dispersion: Along a certain direction the dispersion is very well described by a free electron parabola whereas in the perpendicular direction the dispersion falls below the free electron parabola. 6 Scanning tunneling microscopy (STM) investigations of the Si(111)-(4×1)-In reconstruction 1,7-11 resolved zig-zag chains running in the 110 directions in the filled-state images and linear chains in the empty-state images. Tunneling data was acquired at bias voltages down to 0.04 V consistent with metallic behavior in agreement with scanning tunneling spectroscopy results. 1 Adsorbed hydrogen was found to displace the indium atoms. 9-11 Filled-state STM images of the hydrogenated substrate show a (4×1) reconstruction with straight chains instead of the broad zigzag chains on the indium-terminated surface. 9-11 From these observations and results found in the literature Saranin et al. 9 proposed a structural model. This model as well as the model derived by Collazo-Davila et al. 12 by applying direct methods to transmission electron diffraction (TED) data are at variance with the x-ray photoelectron spectroscopy (XPS) results of Abukawa et al. 13 Since the core-level spectra did not show peaks corresponding to surface silicon atoms a complex substrate reconstruction can be ruled out.All the inconsistencies between the earlier experimental results are eliminated with our structural model. The determination of the geometric structure lays the foundation for a theoretical investigation of the interesting electronic structure of this system. We used the well established experimental technique SXRD to determine the structure of the Si(111)-(4×1)-In reconstruction. To minimi...

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“…This system was characterized structurally [5][6][7][8][9] and electronically [10,11]. In these works it was found that the In atoms were organized into linear chains of atoms, and that the electronic properties appeared to be highly anisotropic, with metallic behavior indicated by band crossings of E F along the chains.…”

Section: X1 Reconstruction: 1deg [4]mentioning

confidence: 99%

In/Si(111): Self-Assembled One and Two-Dimensional Electron Gases

et al. 2000

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We present angle-resolved photoemission measurements for ultrathin In films on Si(111). Depending on the coverage, this system self-organizes into a metallic monolayer with either 4x1 or !7x!3 symmetry relative to the substrate. Electronically, they behave like ideal one-and twodimensional electron gases (1DEG and 2DEG), respectively. The 4x1 system has atomic chains of In whose energy bands disperse only parallel to the chains, while for the !7x!3 system, the dominant reciprocal space features (in both diffraction and bandstructure) resemble a pseudosquare lattice with only weaker secondary features relating to the !7x!3 periodicity. In both materials the electrons show coupling to the structure. The 1DEG couples strongly to phonons of momentum 2k F , leading to an 8x"2" Peierls-like insulating ground state. The 2DEG appears to be partially stabilized by electron gap formation at the !7x!3 zone boundary.

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Structural model for the Si(111)-4×1-In reconstruction

Cited by 48 publications

References 28 publications

Metal–insulator transition in the In/Si(111) surface

Metal–insulator transition in the In/Si(111) surface

Structure determination of the indium-inducedSi(111)−(4×1)reconstruction by surface x-ray diffraction

In/Si(111): Self-Assembled One and Two-Dimensional Electron Gases

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