Category: Type Conversion
Description: This script generates the atom cartesian coordinates of a cylindrical axial-heteroepitaxial compound semiconductor [111] nanowire with same anion (e.g. As) and zinc blende structure, e.g. InAs on GaAs. Both axial nanowire segments have the same lattice parameter (i.e. at least one of the two segments is pseudomorphically strained). The orientation of the xyz coordinate system is: x || [1-10], y || [11-2], z || [111]. The top surfaces/interfaces of the nanowire segments are terminated with cations (atom type = 1, 3); the bottom ones are terminated with anions (atom type = 2). The lattice parameter as well as the radii and lengths of nanowire segments can be defined by the user in a user interface. The script outputs the data as a 5-column image (atom ID number, atom type code, x, y, z) and in addition as text in the output window. The output atom coordinates can be used as input for simulating lattice relaxation and misfit strain fields on an atomistic scale, and compared with e.g. TEM/STEM data.
Script version: 1
DM/GMS version: 3.30
Script written as a function: No
Source: Show code
Download Source Code: Download