Publikationsrepositorium - Helmholtz-Zentrum Dresden-Rossendorf

In the present work, the importance of determining the strain states of semiconductor compounds with high accuracy is
demonstrated. For the matter in question, new software titled LAPAs, the acronym for LAttice PArameters is presented. The
lattice parameters as well as the chemical composition of Al1−xIn x N and Ge1−xSn x compounds grown on top of GaN- and
Ge- buffered c-Al2O3 and (001) oriented Si substrates, respectively, are calculated via the real space Bond’s method. The
uncertainties in the lattice parameters and composition are derived, compared and discussed with the ones found via x-ray
diffraction reciprocal space mapping. Broad peaks lead to increased centroid uncertainty and are found to constitute up to
99% of the total uncertainty in the lattice parameters. Refraction correction is included in the calculations and found to have
an impact of 0.001 Å in the lattice parameters of both hexagonal and cubic crystallographic systems and below 0.01% in the
quantification of the InN and Sn contents. Although the relaxation degrees of the nitride and tin compounds agree perfectly
between the real and reciprocal-spaces methods, the uncertainty in the latter is found to be ten times higher. The impact of
the findings may be substantial for the development of applications and devices as the intervals found for the lattice match
the condition of Al1−xIn x N grown on GaN templates vary between ∼1.8% (0.1675-0.1859) and 0.04% (0.1708-0.1712) if
derived via the real- and reciprocal spaces methods. © 2023 The Author(s). Published by IOP Publishing Ltd.