Atomic Pathways of Solute Segregation in the Vicinity of Nanoscale Defects

Nano Lett. 2021 Dec 8;21(23):9882-9888. doi: 10.1021/acs.nanolett.1c02577. Epub 2021 Nov 19.

Abstract

Using GeSn semiconductor as a model system, this work unravels the atomic-level details of the behavior of solutes in the vicinity of a dislocation prior to surface segregation in strained, metastable thin layers. The dislocations appear in the 3D atom probe tomography maps as columnar regions, 3.5-4.0 nm wide, with solute concentrations 3-4 times higher than the sounding matrix. During the initial stage of phase separation, the migration of solute atoms toward the dislocation is associated with a gradual increase in Sn concentration and in density of atomic clusters, which reach 175-190 per 103 nm3 with 12-15 atoms/cluster close to dislocations. The latter provide, at advanced stages, fast diffusive channels for Sn mass-transport to the surface, thus bringing the matrix around the dislocation to the equilibrium concentration. In parallel, an increase in solute concentration (∼0.05 at. %/nm) and in the number of atomic clusters (12-16 clusters/33 nm) is observed along the dislocation core.

Keywords: 3D atomic mapping; Pipe diffusion; Solute clustering; Solute−dislocation interaction; Strained metastable alloys.