Surface extended-x-ray-absorption fine structure and scanning tunneling microscopy of Si(001)2×1-Sb

Richter, M.; Woicik, J. C.; Nogami, J.; Pianetta, P.; Miyano, K. E.; Baski, A. A.; Kendelewicz, T.; Bouldin, C. E.; Spicer, W. E.; Quate, C. F.; Lindau, I.

doi:10.1103/physrevlett.65.3417

Cited by 138 publications

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“…Our energy optimization for Sb:Si(001)(1 x 2) also yields symmetric Sb dimers with a dimer-bond length of 2.87 ~ and a back-bond length of 2.52 ~k. These values are in good agreement with the results of Tang and Freeman [61] and with the experimental SEXAFS data of Richter et al [4] as shown in Table 6. The dimer-bond length 'is very similar to the Sb bulk-bond length of 2.90 N. The electronic spectrum of Sb:Si(001)(1 x 2) is very similiar to the surface-band structure of As:Si(001)(1 x 2).…”

Section: Adsorption Of Group-v Elements: As and Sb On Si(o01) Sb On supporting

confidence: 90%

“…Chemisorption of Sb, which is isoelectronic to As, leads to formation of Sb dimers at the Si(001) surface. This has been confirmed experimentally by combined SurfaceExtended X-ray-Absorption Fine-Structure (SEXAFS) and STM measurements carried out by Richter et al [4]. A formation of Sb dimers, which are perpendicular to the former Si dimers of the clean surface has been observed in .…”

Section: Adsorption Of Group-v Elements: As and Sb On Si(o01) Sb On supporting

confidence: 57%

“…Experimentally, it is hard to clearly resolve the small splitting of these states ( see the discussion in [91). For As:Si(001)(1 × 2) the dimer-bond-related states Dil and Di2 have been detected [4] in addition to the dangling-bond states. Contrary to the clean Si(001)(2 x 1) surface, for which the dimer states have not been observed so far, the wave functions of Di] and Di2 at As:Si(001)(1 x 2) have a strong Pz component which is most efficiently probed by the experimental setup used in [60].…”

Section: Adsorption Of Group-v Elements: As and Sb On Si(o01) Sb On mentioning

confidence: 93%

“…Monolayers of Ge on Si(001) are found to break the Si dimers and form asymmetric Ge dimers on top of the surface [2]. On the other hand, the adsorption of the group-V elements As and Sb leads to formation of symmetric adatom dimers on Si(001) and Ge(001) [3][4][5]. S monolayers are found to passivate the Ge(001) surface and yield an almost ideal (1 x 1) structure [6].…”

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confidence: 94%

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Theory of adsorption: Ordered monolayers from Na to Cl on Si(001) and Ge(001)

Krüger

Pollmann

1994

Appl. Phys. A

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Abstract. First principles calculations of clean and adsorbate-covered surfaces of Si(001) and Ge(001) are reported. Chemical trends in the adsorption of ordered Na, K, Ge, As, Sb, S, Se and CI overlayers are discussed. The calculations are based on the local-density approximation and employ non-local, norm-conserving pseudopotentials together with Gaussian orbital basis sets. The semi-infinite geometry of the substrate is properly taken into account by employing our scattering theoretical method. From total-energy minimization calculations we obtain optimal surface reconstructions which show asymmetric dimers for Si(001), Ge(001) and Ge:Si(001). For As:Si(001), Sb:Si(001) and Sb:Ge(001), we find symmetric adatom dimers in the equilibrium geometries. S or Se adlayers are found to be adsorbed in bridge positions forming a (1 x 1) unit cell with a geometry very close to the configuration of a terminated bulk lattice. C1 atoms adsorb on top of the dangling bonds of symmetric Si dimers residing in the first substrate-surface layer. Our calculations for Na:Si(001) and K:Si(001) confirm valleybridge site adsorption for half monolayer coverage. For full monolayer alkali-metal coverage, adsorption in pedestal and valley-bridge positions is found to be energetically most favourable. The calculated optimal adsorption configurations are in excellent agreement with a whole body of recent experimental data on surface-structure determination. For these structural models, we obtain electronic surface band structures which agree very good with a wealth of data from angle-resolved photoemission spectroscopy investigations. The adsorption of adlayers at semiconductor surfaces has been under intensive study in recent years. These investigations are motivated by fundamental physical reasons and important technological applications. In basic research, semiconductors are interesting substrates for adsorption systems due to the unsaturated directional bonds at their surfaces. This allows the formation of chemical compounds which are neither stable as small, isolated molecules nor as extended solids. The technological interest ranges from homoand heteroepitaxy and growth, via surface passivation and doping to dry etching and photo-surface cleaning. For example, the quality of the heteroepitaxial growth of GaAs on Si is determined by the initial stage of this process which consists in formation of As adlayers. Furthermore, surface passivation may involve As, S or Se atoms. In the fabrication of electronic devices, dry etching and photo-surface cleaning is carried out by the reaction of C1 on Si. The adsorption of alkali metals in the range of monolayer coverage leads to a drastic reduction of the ionization energy. These systems have important applications as high-efficiency emitters. They are also widely discussed in the context of the Schottky-barrier problem [1].

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Section: Adsorption Of Group-v Elements: As and Sb On Si(o01) Sb On supporting

confidence: 90%

Section: Adsorption Of Group-v Elements: As and Sb On Si(o01) Sb On supporting

confidence: 57%

Section: Adsorption Of Group-v Elements: As and Sb On Si(o01) Sb On mentioning

confidence: 93%

mentioning

confidence: 94%

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Theory of adsorption: Ordered monolayers from Na to Cl on Si(001) and Ge(001)

Krüger

Pollmann

1994

Appl. Phys. A

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“…In recent years, much attention has been paid to the adsorption of group-V atoms on the (001)(2x1) surfaces of Si and Ge because of their fundamental and technological importance [1][2][3][4]. The structural and electronic properties of the monolayer covered systems are well understood in terms of a symmetric dimer model, but little is known about the dynamical properties of these surfaces.…”

Section: Introductionmentioning

confidence: 99%

Structural and dynamical properties of the Ge(001)/Sb(2×1) surface

Tütüncü

Srivastava

Duman

et al. 2004

phys. stat. sol. (c)

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The structural properties of the Ge(001)/Sb(2×1) surface were investigated by using the density functional theory. The calculated structural parameters for this surface are in good agreement with previous experimental and theoretical results. In addition to structural properties, we present the complete phonon spectrum of this surface as calculated from first principles employing density functional theory. We have compared the phonon spectrum of this surface with that of the clean Ge(001)(2x1) surface in detail. We have found that adsorption of Sb results in several characteristic phonon modes.

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Excitation spectra of Bi/Si(001) interfaces

Buchenko

Goloborodko

Afanasieva

2016

Materialwissenschaft Werkst

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Present article deals with the theoretical and experimental investigation of optical properties of Bi/Si(001) interfaces in a wide spectral range (1-4 eV). Theoretical excitation spectra of vicinal Si(001) surface, Bi/Si(001)-0.5 monolayer and Bi/Si(001)-1 monolayer interfaces are calculated by time-dependent density functional theory with the hybrid Becke and Lee, Yang and Parr pseudopotential. Calculations and experimental studies of the absorption spectrum of the samples revealed the blue shift of the optical absorption edge with increasing of the bismuth covering degree. Features of the experimentally obtained reflectance anisotropy spectra (RAS) and surface differential reflectance spectra (SDRS) concerned with changing of the silicon surface reconstruction from 2 × 1 to 1 × 1 with the increasing of the bismuth covering degree from 0.5 to 1 monolayer. It is shown that the correlation between the theoretically calculated and experimental data makes it possible to identify the electronic transitions in the surface region.

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Surface extended-x-ray-absorption fine structure and scanning tunneling microscopy of Si(001)2×1-Sb

Cited by 138 publications

References 12 publications

Theory of adsorption: Ordered monolayers from Na to Cl on Si(001) and Ge(001)

Theory of adsorption: Ordered monolayers from Na to Cl on Si(001) and Ge(001)

Structural and dynamical properties of the Ge(001)/Sb(2×1) surface

Excitation spectra of Bi/Si(001) interfaces

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