Atomistic basis for continuum growth equation: Description of morphological evolution of GaAs during molecular beam epitaxy

Tiedje, T.; Ballestad, Anders

doi:10.1016/j.tsf.2007.11.015

Cited by 17 publications

(14 citation statements)

References 69 publications

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“…Vanishingly small or negative ES barriers, which imply that adatoms travelling toward descending steps are more likely to be incorporated at terrace positions adjacent to step edges rather than being reflected toward the island interior, and/or negative attachment energies [see Fig. 4(a)], which favor condensation of itinerant adatoms at ascending terrace step edges, promote surface smoothing during deposition via step-flow growth [95]. The existence of negative ES barriers for itinerant Ga adatoms has been proposed as a plausible explanation for stable homoepitaxial growth of GaAs crystals [95][96][97].…”

Section: K Dft + Neb Resultsmentioning

confidence: 99%

“…4(a)], which favor condensation of itinerant adatoms at ascending terrace step edges, promote surface smoothing during deposition via step-flow growth [95]. The existence of negative ES barriers for itinerant Ga adatoms has been proposed as a plausible explanation for stable homoepitaxial growth of GaAs crystals [95][96][97]. Our results confirm that the global activation energy for adatom descent is not necessarily larger than the activation energy for migration on an island, as conventional schematic representations of Ehrlich barriers would suggest [see, for example, Fig.…”

Section: K Dft + Neb Resultsmentioning

confidence: 99%

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Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

et al. 2018

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We carried out density-functional ab initio molecular dynamics (AIMD) simulations of Ti adatom (Ti ad ) migration on, and descent from, square TiN 100 epitaxial islands on TiN(001) at temperatures (T ) ranging from 1200 to 2400 K. Adatom-descent energy barriers determined via ab initio nudged-elastic-band calculations at 0 Kelvin suggest that Ti interlayer transport on TiN(001) occurs essentially exclusively via direct hopping onto a lower layer. However, AIMD simulations reveal comparable rates for Ti ad descent via direct hopping vs push-out/exchange with a Ti island-edge atom for T 1500 K. We demonstrate that this effect is due to surface vibrations, which yield considerably lower activation energies at finite temperatures by significantly modifying the adatom push-out/exchange reaction pathway.

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Section: K Dft + Neb Resultsmentioning

confidence: 99%

Section: K Dft + Neb Resultsmentioning

confidence: 99%

Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

et al. 2018

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“…In such cases, R can be approximately taken as the actual thickness of that layer. Although originally inspired in continuum descriptions of macroscopic pattern formation on granular systems (aeolian and underwater sand dunes), analogous two-field descriptions have been also employed for nanoscopic systems, such as, for example, growth by MBE (see [20] for a review).…”

Section: Introductionmentioning

confidence: 99%

Coupling of morphology to surface transport in ion-beam-irradiated surfaces: normal incidence and rotating targets

Muñoz-García

Cuerno

Castro

2009

J. Phys.: Condens. Matter

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Continuum models have proved their applicability to describe nanopatterns produced by ion-beam sputtering of amorphous or amorphizable targets at low and medium energies. Here we pursue the recently introduced 'hydrodynamic approach' in the cases of bombardment at normal incidence, or of oblique incidence onto rotating targets, known to lead to self-organized arrangements of nanodots. Our approach stresses the dynamical roles of material (defect) transport at the target surface and of local redeposition. By applying results previously derived for arbitrary angles of incidence, we derive effective evolution equations for these geometries of incidence, which are then numerically studied. Moreover, we show that within our model these equations are identical (albeit with different coefficients) in both cases, provided surface tension is isotropic in the target. We thus account for the common dynamics for both types of incidence conditions, namely formation of dots with short-range order and long-wavelength disorder, and an intermediate coarsening of dot features that improves the local order of the patterns. We provide for the first time approximate analytical predictions for the dependence of stationary dot features (amplitude and wavelength) on phenomenological parameters, that improve upon previous linear estimates. Finally, our theoretical results are discussed in terms of experimental data.

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“…The situation of disregarding other data in presenting one's own experimental results can occur even when the investigators are working on the same topic. For example, in the homoepitaxial growth on the GaAs(001) substrate, as pointed out by Tiedje and Ballestad [28], Cho [29] had experimentally demonstrated that the homoepitaxial growth of GaAs(001) with a planar growing surface is highly stable in the early 1970s, while Johnson et al [30][31][32] interpreted their experimental results on the GaAs(001) homoepitaxial growth in terms of the growth instability due to the kinetic roughening effect in the 1990s. Cho's result is currently regarded as classical, whereas the work of Johnson et al has frequently been cited positively in the GaAs(001) homoepitaxy community to date.…”

Section: Formation Of Inas Qds Is Difficult To Understandmentioning

confidence: 99%

Self-assembly of InAs quantum dots on GaAs(001) by molecular beam epitaxy

Jin

2015

Front. Phys.

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Currently, the nature of self-assembly of three-dimensional epitaxial islands or quantum dots (QDs) in a lattice-mismatched heteroepitaxial growth system, such as InAs/GaAs(001) and Ge/Si(001) as fabricated by molecular beam epitaxy (MBE), is still puzzling. The purpose of this article is to discuss how the self-assembly of InAs QDs in MBE InAs/GaAs(001) should be properly understood in atomic scale. First, the conventional kinetic theories that have traditionally been used to interpret QD self-assembly in heteroepitaxial growth with a significant lattice mismatch are reviewed briefly by examining the literature of the past two decades. Second, based on their own experimental data, the authors point out that InAs QD self-assembly can proceed in distinctly different kinetic ways depending on the growth conditions and so cannot be framed within a universal kinetic theory, and, furthermore, that the process may be transient, or the time required for a QD to grow to maturity may be significantly short, which is obviously inconsistent with conventional kinetic theories. Third, the authors point out that, in all of these conventional theories, two well-established experimental observations have been overlooked: i) A large number of “floating” indium atoms are present on the growing surface in MBE InAs/GaAs(001); ii) an elastically strained InAs film on the GaAs(001) substrate should be mechanically unstable. These two well-established experimental facts may be highly relevant and should be taken into account in interpreting InAs QD formation. Finally, the authors speculate that the formation of an InAs QD is more likely to be a collective event involving a large number of both indium and arsenic atoms simultaneously or, alternatively, a morphological/structural transformation in which a single atomic InAs sheet is transformed into a three-dimensional InAs island, accompanied by the rehybridization from the sp 2-bonded to sp 3-bonded atomic configuration of both indium and arsenic elements in the heteroepitaxial growth system.

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Atomistic basis for continuum growth equation: Description of morphological evolution of GaAs during molecular beam epitaxy

Cited by 17 publications

References 69 publications

Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

Coupling of morphology to surface transport in ion-beam-irradiated surfaces: normal incidence and rotating targets

Self-assembly of InAs quantum dots on GaAs(001) by molecular beam epitaxy

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