InterfaceWidth

Calling sequence

Structure{ InterfaceWidth =  }

Properties

  • type: real number

  • values: [0.0, ...)

  • unit: \(\mathrm{nm}\)

Functionality

This commands introduces grading of the interfaces, to account for the interdiffusion of the stacked materials which happens during the growth. The nominal composition profile is convoluted by a Gaussian function of full width at half maximum (FWHM) \(\mathcal{L}\), where \(\mathcal{L}\) is the specified value.

Note that for a single interface, the resulting composition profile is an error function.

(1)\[c(z) = c_0 + d_0 \, \text{erf} \left[ 2\sqrt{\ln(2)} (z-z_0) / \mathcal{L} \right]\]

where \(c_0\) and \(d_0\) are parameters to describe the concentrations on both side of the heterointerface, and \(z_0\) defines the position of its center. The interfacial width \(\mathcal{L}\) corresponds also to the FWHM of the derivative of the concentration profile. The concentration changes from 12% to 88% over the interfacial width \(\mathcal{L}\).

Last update: 11/06/2026