Extended X-ray absorption fine structure investigation of Sn local environment in strained and relaxed epitaxial Ge1−xSnx films

Abstract

We present an extended X-ray absorption fine structure investigation of the local environment of Sn atoms in strained and relaxed Ge1−xSnx layers with different compositions. We show that the preferred configuration for the incorporation of Sn atoms in these Ge1−xSnx layers is that of a α-Sn defect, with each Sn atom covalently bonded to four Ge atoms in a classic tetrahedral configuration. Sn interstitials, Sn-split vacancy complexes, or Sn dimers, if present at all, are not expected to involve more than 2.5% of the total Sn atoms. This finding, along with a relative increase of Sn atoms in the second atomic shell around a central Sn atom in Ge1−xSnx layers with increasing Sn concentrations, suggests that the investigated materials are homogeneous random substitutional alloys. Within the accuracy of the measurements, the degree of strain relaxation of the Ge1−xSnx layers does not have a significant impact on the local atomic surrounding of the Sn atoms. Finally, the calculated topological rigidity parameter a** = 0.69 ± 0.29 indicates that the strain due to alloying in Ge1−xSnx is accommodated via bond stretching and bond bending, with a slight predominance of the latter, in agreement with ab initio calculations reported in literature.