Abstract: The structural and transport features of the behavior of the fluorine ion sublattice of Pb0.78Sr0.19K0.03F1.97 solid solution have been studied by the ab initio molecular dynamics method. It is shown that the local diffusion of fluorine anions changes with the nature of dopant atom, which is consistent with the experimental transport characteristics.
Original languageEnglish
Pages (from-to)220-225
Number of pages6
JournalCrystallography Reports
Volume69
Issue number2
DOIs
StatePublished - 19 Jul 2024

ID: 122276126