Nanoscale Effects in PbF2–CdF2 Solid Solutions

Аннотация

The specific features of the fluorine-ion transport in nanostructured samples of Рb_1 – xCd_xF₂ solid solutions are studied by the molecular dynamics method. The diffusion coefficients D_F of fluorine ions in these samples increase by several orders of magnitude (at room temperature) as compared to bulk crystals. The experimentally observed maximum of fluorine diffusion at 30 mol % CdF₂ could be reproduced for spherical nanoparticles more than 15 nm in size. It is shown that the mobility of the F^– ions located on the surface of nanospherical particles exceeds several times the mobility of fluorine anions in the particle bulk.