Atomic Resolution Imaging on Si(100)2×1 and Si(100)2×1:H Surfaces  with Noncontact Atomic Force Microscopy

Yokoyama, Kousuke; Ochi, T.; Yoshimoto, Akifumi; Sugawara, Yasuhiro; Morita, Seizo

doi:10.1143/jjap.39.l113

Cited by 45 publications

(24 citation statements)

References 28 publications

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“…The tilted dangling bond indeed explains the deviation observed in our AFM images from the core atomic position of the surface. Similar observations were reported in AFM imaging of the dimer structure on the Si001-2 1 surface [22], and qualitatively supported by theoretical AFM simulations [23]. In our experiments we noticed some variation in the lateral positions depending on imaging conditions [i.e., Fig.…”

supporting

confidence: 91%

Imaging of all Dangling Bonds and their Potential on theGe/Si(105)Surface by Noncontact Atomic Force Microscopy

et al. 2004

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High-resolution noncontact atomic force microscope (AFM) images were successfully taken on the Ge105-(1 x 2) structure formed on the Si105 substrate and revealed all dangling bonds of the surface regardless of their electronic situation, surpassing scanning tunneling microscopy, whose images strongly deviated from the atomic structure by the electronic states involved. An atomically resolved electrostatic potential profile by a Kelvin-probe method with AFM shows potential variations among the dangling bond states, directly observing a charge transfer between them. These results clearly demonstrate that high-resolution noncontact AFM with a Kelvin-probe method is an ideal tool for analysis of atomic structures and electronic properties of surfaces.

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supporting

confidence: 91%

Imaging of all Dangling Bonds and their Potential on theGe/Si(105)Surface by Noncontact Atomic Force Microscopy

et al. 2004

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“…The models that we adopt for infinite-size (100) platelets are the (100) hydrogenated internal surfaces. External (100) surfaces have been widely studied experimentally [18][19][20][21][22], and a number of theoretical studies exist [23,24]. The principal structures of the (100) hydrogenated internal surfaces are the 1x1 reconstruction and the 2x1 reconstruction of the surface.…”

Section: Model: Hydrogenated Si(100) Surfacesmentioning

confidence: 99%

First principles modelling of (100) H‐induced platelets in silicon

Martsinovich¹,

Martinez

Heggie

2005

phys. stat. sol. (c)

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We investigate possible structures of hydrogen-induced platelets in the (100) crystallographic plane in silicon using ab initio methods. We consider the structures of Si(100) external surfaces - the 2×1-reconstructed monohydride and the 1×1-reconstructed dihydride - as possible structures of hydrogen-induced platelets. We find that the 1×1 reconstructed dihydride-terminated structure has the lowest formation energy per hydrogen atom. Addition of H2 molecules to platelets makes the formation energies of platelets lower. We discuss the vacancy-based model of (100) platelet structures and compare the energies of (100) platelets with platelets in the (111) plane in silicon. Energies of hydrogen-induced platelets in (100) and (111) planes are found to be very similar. Therefore, we conclude that the preferred crystallographic orientation of platelets is not caused by thermodynamic stability but by kinetic reasons: wafer surface orientation and diffusion of hydrogen to platelets. © 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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“…We start calculations with an initial unreconstructed surface structure having two dangling bonds for each atom on the surface. We provide a direct comparison of our results with experimental measurements obtained by different methods including X-Ray diffraction [41], low-energy electron diffraction (LEED) [42] and also AFM [16]. In addition we compare with theoretical results obtained by Refs.…”

Section: A Si(100)2×1 Reconstructed Surfacementioning

confidence: 69%

First principles studies of an Si tip on an Si(100)2 × 1 reconstructed surface

Ly¹,

Парамонов²,

Makatsoris³

2009

J. Phys.: Condens. Matter

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We present a systematic study of the interaction between a silicon tip and a reconstructed Si(100)2×1 surface by means of total energy calculations using Density Functional Theory. We perform geometry optimisation to obtain the reconstructed Si surface using the Local Density Approximation and the Generalized Gradient Approximation methods and compare our results with those obtained experimentally.We then study the effects of the tip of a scanning probe of an Atomic Force Microscope (AFM) on the behaviour of atoms on the reconstructed surface when the tip translates at distances close to it. Our results show that at certain positions of the tip relative to the surface and depending on the direction of the scan, the Si dimer on the surface flips, resulting to a local reconstruction of the surface into p(2×2) or c(4×2) configurations. These configurations exhibit energy lower by 0.05 eV/dimer compared to the Si(100)2×1 structure.

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Atomic Resolution Imaging on Si(100)2×1 and Si(100)2×1:H Surfaces with Noncontact Atomic Force Microscopy

Cited by 45 publications

References 28 publications

Imaging of all Dangling Bonds and their Potential on theGe/Si(105)Surface by Noncontact Atomic Force Microscopy

Imaging of all Dangling Bonds and their Potential on theGe/Si(105)Surface by Noncontact Atomic Force Microscopy

First principles modelling of (100) H‐induced platelets in silicon

First principles studies of an Si tip on an Si(100)2 × 1 reconstructed surface

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