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Rough interface models

Interface model

The mathematical model for one interface must be specified through one of

ba.SelfAffineFractalModel(...)
ba.LinearGrowthModel(...)

These models define the behavior of autocorrelation function of roughness or, better to say, its Fourier spectrum in the full range of spatial frequencies from 0 to infinity.

Self-affine fractal model
ba.SelfAffineFractalModel(sigma, hurst, lateral_corr_length, max_spatial_freq=0.5)

where

  • sigma, σ, is the root-mean-square amptitude of out-of-plane (transversal) fluctuation.
  • hurst, H, is a fractal exponent H with 0<H<1. The smaller H is, the more serrate the surface profile looks.
  • lateral_corr_length, ξ, is the lateral (in-plane) correlation length.
  • max_spatial_freq, νmax, is a cut-off spatial frequency.

This is the K-correlation model of Palasantzas 1993. The autocorrelation spectrum is

S(ν)=4πHσ2ξ2(1+(2πν)2)1+H,forν<νmax

In case there is no cut-off, the real-space roughness correlation function at the interface is expressed as: <U(x,y)U(x′,y′)>=σ221−HΓ(H)(τξ)HKH(τξ),τ=[(x−x′)2+(y−y′)2]12

where U(x,y) is the height deviation at position (x,y).

The main property is that it remains nearly constant at low ν and transitions into a straight line on a log-log scale at high ν, exhibiting an inflection point between these two regions.

Linear growth model
ba.LinearGrowthModel(particle_volume, damp1, damp2, damp3, damp4, max_spatial_freq=0.5)

where

  • particle_volume, Ω, is the volume of particle (atom, molecule, cluster) coming to the surface during film deposition,
  • damp1-damp4, a1−a4, are damping coefficients, responsible for replication of underlying roughness and the growth of the new independent one,
  • max_spatial_freq, νmax, is a cut-off spatial frequency.

This is the model described by Stearns 1993 and extended by Stearns and Gullikson 2000.

The model describes the evolution of the roughness spectrum on the top surface of a growing film. Its autocorrelation spectrum depends not only on the model parameters but also on the film thickness and the spectrum of the underlying interface. Therefore, the model cannot be applied directly to the substrate.

The autocorrelation spectrum is

Sabove(ν)=Sbelow(ν)e−b(ν)t+Ω1−e−b(ν)tb(ν),forν<νmax where t - film thickness, b(ν)=∑aiνi - relaxation function

An essential property of the model is that it describes not only autocorrelation but also cross-correlation properties. Therefore, it does not require cross-correlation to be specified separately.