Patterns in strained-layer heteroepitaxy: Beyond the Frenkel-Kontorova model

Howe, Joshua D.; Bhopale, Prateek; Tiwary, Yogesh; Fichthorn, Kristen A.

doi:10.1103/physrevb.81.121410

Cited by 9 publications

(7 citation statements)

References 31 publications

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“…7,8,[18][19][20][21] For a (111) FCC surface, our analysis predicts a six-fold anisotropy in the interaction; however, we find less variation in the interaction wavelength than in Ref. 9. Below we indicate conceptual differences between our approach and those of the afore-mentioned references.…”

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confidence: 48%

Anisotropic surface-state-mediated RKKY interaction between adatoms

Patrone

Einstein

2012

Phys. Rev. B

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Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface state dispersions similar to Be(1010), we show that the RKKY interaction should have considerable anisotropy.

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contrasting

confidence: 48%

Anisotropic surface-state-mediated RKKY interaction between adatoms

Patrone

Einstein

2012

Phys. Rev. B

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“…Collective diffusion has also been seen in Pb/Ni(111) [26] with similar exceedingly fast motion of the wetting layer when metastable Pb islands decay to their equilibrium shapes. Theoretical work has been carried out to address the question of super-diffusive motion in 2-d overlayers but there is still no complete understanding as to its origin [27][28][29][30].…”

Section: In Addition To the Preferential Directional Growth Of Indivimentioning

confidence: 99%

Nonclassical “Explosive” Nucleation in Pb/Si(111) at Low Temperatures

et al. 2014

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Classically, the onset of nucleation is defined in terms of a critical cluster of the condensed phase, which forms from the gradual aggregation of randomly diffusing adatoms. Experiments in Pb/Si(111) at low temperature have discovered a dramatically different type of nucleation, with perfect crystalline islands emerging "explosively" out of the compressed wetting layer after a critical coverage Θ_{c}=1.22 ML is reached. The unexpectedly high island growth rates, the directional correlations in the growth of neighboring islands and the persistence in time of where mass is added in individual islands, suggest that nucleation is a result of the highly coherent motion of the wetting layer, over mesoscopic distances.

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“…In spite of these benefits of an embedding method, we believe it is also important to continue to seek simple mechanisms to enhance the accuracy in widely used (for examples, Refs. 23,[74][75][76][77][78][79][80][81][82][83][84][85][86][87][88] slab-geometry DFT studies of surface states.…”

Section: Introductionmentioning

confidence: 99%

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

2012

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The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wavefunctions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We calculate the shift in energetic position and effective mass of the surface state for an electrical field perpendicular to the Cu(111) surface; the response is linear over a broad range of field strengths. We find that charge transfer occurs beyond the outermost copper atoms and that accumulation of electrons is responsible for a quarter of the screening of the electrical field. This allows us to provide wellconverged determinations of the field-induced changes in the surface state for a moderate number of layers in the slab geometry.

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Patterns in strained-layer heteroepitaxy: Beyond the Frenkel-Kontorova model

Cited by 9 publications

References 31 publications

Anisotropic surface-state-mediated RKKY interaction between adatoms

Anisotropic surface-state-mediated RKKY interaction between adatoms

Nonclassical “Explosive” Nucleation in Pb/Si(111) at Low Temperatures

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

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