The atomic geometry of GaAs(110) revisited

Duke, C. B.; Richardson, Steven L.; Paton, A.; Kahn, Antoine

doi:10.1016/0039-6028(83)90412-0

Cited by 103 publications

(16 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We attribute these minor differences to different plane-wave cutoffs, numbers of relaxed layers, pseudopotentials, /:-space samplings, etc. All three sets of calculations fall within the error bars of existing measurements and agree very well with the LEED [15] and photoemission data [16], e.g., the measured photoemission threshold is 5.15-5.75 eV.…”

supporting

confidence: 82%

Atomic structure of Al-GaAs(110) interfaces

Bernholc

1992

Phys. Rev. Lett.

View full text Add to dashboard Cite

Atomic structures of Al on GaAsO 10) are studied by ab initio molecular dynamics for coverages of j to 1 monolayer (ML). A single chemisorbed Al atom resides at the center of a triangle of one Ga and two As atoms. Al dimers have very long bond lengths and bind due to substrate-mediated interactions. Epitaxial growth of 1 ML of Al is less stable than the formation of islands. Preformed clusters bond strongly to the substrate, which shows that the absence of Fermi-level pinning in samples grown by cluster deposition is due to suppression of reactivity rather than lack of interactions.

show abstract

supporting

confidence: 82%

Atomic structure of Al-GaAs(110) interfaces

Bernholc

1992

Phys. Rev. Lett.

View full text Add to dashboard Cite

show abstract

“…A clean InAs ͑110͒ surface suffers the same relaxation as a clean GaAs ͑110͒ surface. [1][2][3][4][5][6][7][8][9] On a relaxed clean ͑110͒ surface of InAs, the In and As atoms in the top layer are displaced below and above the surface plane, respectively. This surface relaxation pushes an Inderived dangling-bond state above the conduction-band bottom and an As-derived one below the valence-band top.…”

Section: Introductionmentioning

confidence: 99%

Evolution of electron states at a narrow-gap semiconductor surface in an accumulation-layer formation process

2002

View full text Add to dashboard Cite

Adsorption on a doped semiconductor surface often induces a gradual formation of a carrier-accumulation layer at the surface. Taking full account of a nonparabolic ͑NP͒ conduction-band dispersion of a narrow-gap semiconductor, such as InAs and InSb, we investigate the evolution of electron states at the surface in an accumulation-layer formation process. The NP conduction band is incorporated into a local-density-functional formalism. We compare the calculated results for the NP dispersion with those for the parabolic ͑P͒ dispersion with the band-edge effective mass. With increase in the accumulated carrier density N S , the accumulated carriers for the NP conduction band start to be more localized in closer vicinity to the surface than those for the P one. As the bottoms of a few lowest subbands drop below the Fermi level one after another with increase in N S , the nonparabolicity begins to have a great influence on the dispersion and the bottom of each of these subbands, particularly on those of the lowest subband. The present work provides a numerical basis for making a quantitative examination of surface electronic excitations in the accumulation-layer formation process.

show abstract

“…These equations were solved exactly for the top six layers. For deeper layers, the scattering amplitudes for each layer were obtained by considering the multiple scattering between the two sublattices within the layer but neglecting the multiple scattering between lay- [20]. The latter gives a measure of how the calculation meets the relative strength of various beams.…”

mentioning

confidence: 99%

Determinants of surface atomic geometry: The CuCl(110) test case

et al. 1992

Self Cite

View full text Add to dashboard Cite

The atomic geometry of the CuCKl 10)-(1 x 1) surface is determined by dynamical analysis of lowenergy electron-diffraction intensities. This surface undergoes a relaxation characterized by a -30° Cu-Cl surface bond rotation, a 0.15 A contraction of the top-to-second layer distance, and a 0.4 A horizontal displacement of CI relative to Cu. The relaxation is consistent with the "universal" structure deduced from the analysis of cleavage surfaces of tetrahedrally coordinated III-V and II-VI compounds, thereby revealing that this feature of the structure does not depend significantly on the ionicity of the compound.PACS numbers: 61.l4.Hg, 68.35.BsFor decades the study of the dependence of surface atomic geometries on parameters characteristic of the bulk chemical bonding [1,2] (e.g., crystal class, lattice parameters, bonding character) has been a major topic in surface science. Historically, the cleavage faces of tetrahedrally coordinated compound semiconductors have been a fertile ground for the proposition and testing of such structure-bonding relationships because of their reproducible surface composition and extensive structure studies [3-5]. In recent years, however, the validity of earlier experimentally established scaling rules [6] has been questioned by a series of model predictions of the surface structures of the cleavage faces of zinc-blendestructure compounds [7]. The case of CuCl(llO) emerged from these predictions as a crucial test case in which the scaling rules failed completely [7]. Our purpose in this paper is to report a structure analysis of CuClO 10) revealing that it is compatible with the experimentally established scaling rules and hence constitutes a critical piece of experimental evidence that atomic size and surface topology rather than bonding ionicity are the dominant determinants of the surface atomic geometries of the (110) cleavage surfaces of zinc-blende-structure compound semiconductors. Zinc-blende (110) surfaces experience significant (-1A) relaxation of surface atomic positions from their bulk positions. Because of the reproducible 1:1 stoichiometry of these surfaces, the questions of the dominant driving force of the relaxations and their correlation with bulk structural and energetic parameters may be posed precisely. The earliest quantitative relaxation model predicted a link between relaxation and ionicity based on the small-molecule chemistry of the threefold-coordinated surface species [8]. According to this model, the surface anion and cation of mostly covalent III-V compounds would assume pyramidal p-like and planar 5"p 2 -like bonding configurations, leading to the observed bond rotation, whereas their counterparts on the more ionic II-VI compounds would not. Yet, all geometries subsequently determined appeared to be largely independent of the ionicity of the compound, exhibiting an approximately constant bond rotation angle of 29° ±3° [4,5]. Moreover, atomic displacements were found to scale in such a way that all materials exhibit the same basic structure when dimensi...

show abstract

The atomic geometry of GaAs(110) revisited

Cited by 103 publications

References 13 publications

Atomic structure of Al-GaAs(110) interfaces

Atomic structure of Al-GaAs(110) interfaces

Evolution of electron states at a narrow-gap semiconductor surface in an accumulation-layer formation process

Determinants of surface atomic geometry: The CuCl(110) test case

Contact Info

Product

Resources

About