Atomic Structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>GaAs</mml:mi><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo><mml:mi>−</mml:mi><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>4</mml:mn><mml:mo>)</mml:mo></mml:math>Surface Resolved Using Scanning Tunneling Microscopy and First-Principles Theory

LaBella, V. P.; Yang, Haeyeon; Bullock, D. W.; Thibado, P. M.; Kratzer, Peter; Scheffler, Matthias

doi:10.1103/physrevlett.83.2989

Cited by 159 publications

(91 citation statements)

References 29 publications

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“…Integrations in reciprocal space were performed by the Monkhorst-Pack scheme with a 12 × 12 × 12 mesh for perovskite STO, a 6 × 12 × 4 mesh for monoclinic claudetite As 2 O 3 , and a 6 × 6 × 6 mesh for cubic arsenolite As 2 O 3 , with 5, 20, and 80 atoms in the unit cell, respectively. We point out that while several previous studies on bare, As-terminated GaAs (001) surfaces have found the (2×4)-β2 surface reconstruction to be energetically favorable, [16][17][18][19] it appears that the STO deposition eliminates this surface reconstruction as inferred from our Z-contrast images.…”

Section: 8supporting

confidence: 51%

Atomic and electronic structures of SrTiO3/GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study

et al. 2012

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Section: 8supporting

confidence: 51%

Atomic and electronic structures of SrTiO3/GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study

et al. 2012

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“…[14][15][16] In typical MBE growth settings for homoepitaxy, the GaAs(001) substrate exhibits the As-rich β2(2×4) surface reconstruction. 15,16 Although the structure of the β2(2×4) unit cell has been well established experimentally [17][18][19][20][21][22][23][24] and theoretically, [25][26][27][28][29] Pashley and colleagues have pointed out that the twofold structural degeneracy of the β2(2 × 4) unit cell can lead to β2 (2 × 4) surfaces that have a long-range disorder associated with occupancy of out-of-phase unit cells. 24,30 Their work indicates that the disordered surface is the real template on which growth occurs and that effects associated with surface disorder may play a significant role in governing growth kinetics.…”

Section: Introductionmentioning

confidence: 99%

Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties

et al. 2011

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We employ atomic-scale simulation methods to investigate bulk and surface properties of an analytic TersoffAbell type potential for describing interatomic interactions in GaAs. The potential is a modified form of that proposed by Albe and colleagues [Phys. Rev. B 66, 035205 (2002)] in which the cut-off parameters for the As-As interaction have been shortened. With this modification, many bulk properties predicted by the potential for solid GaAs are the same as those in the original potential, but properties of the GaAs(001) surface better match results from first-principles calculations with density-functional theory (DFT). We tested the ability of the potential to reproduce the phonon dispersion and heat capacity of bulk solid GaAs by comparing it to experiment and the overall agreement is good. In the modified potential, the GaAs(001) β2(2 × 4) reconstruction is favored under As-rich growth conditions in agreement with DFT calculations. Additionally, the binding energies and diffusion barriers for a Ga adatom on the β2(2 × 4) reconstruction generally match results from DFT calculations. These studies indicate that the potential is suitable for investigating aspects of GaAs(001) homoepitaxy.

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“…The RHEED measurements show a c(4 and is the focus of most studies of epitaxial growth on this surface. The structure of GaAs(001)-(2 ð 4), the so-calleď 2(2 ð 4) reconstruction, has been determined by firstprinciples density functional calculations 29,52 and supported by extensive STM studies. 52 -54 A schematic representation of theˇ2(2 ð 4) reconstruction is shown in Fig.…”

Section: Phase Stabilitymentioning

confidence: 99%

Epitaxial phenomena across length and time scales

Vvedensky

2001

Surface & Interface Analysis

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The morphological evolution of an epitaxial film results from atomistic processes such as adatom motion and step-adatom interactions asserting their influence over the macroscopic length and time scales of the growth front. Modelling epitaxial phenomena thus necessitates making a compromise between the detailed information provided by first-principles methods and the computational flexibility afforded by methods such as Monte-Carlo simulations and continuum equations of motion, in which atomistic processes are replaced by coarse-grained effective kinetics. We will review the various approaches that are available for modelling epitaxial phenomena using the (001) surfaces of III-V compound semiconductors as a case study, with a view to making direct comparisons with experimental measurements and to establishing a methodology that is capable of incorporating all pertinent length and time scales.

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Atomic Structure of theGaAs(001)−(2×4)Surface Resolved Using Scanning Tunneling Microscopy and First-Principles Theory

Cited by 159 publications

References 29 publications

Atomic and electronic structures of SrTiO3/GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study

Atomic and electronic structures of SrTiO3/GaAs heterointerfaces: An 80-kV atomic-resolution electron energy-loss spectroscopy study

Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties

Epitaxial phenomena across length and time scales

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