Fig. 2: Local structure evolution across the superionic transition of AgCrSe2.
From: Highly selective phonon diffusive scattering in superionic layered AgCrSe2
Total PDF at different temperatures up to 10 Å as obtained from AIMD simulations and decomposed partial PDF for atomic pairs: Ag-Ag, Ag-Cr, Ag-Se, Cr-Se, Cr-Cr, and Se-Se. The vertical shaded bars highlight the Ag-poor (gray) and the Ag-rich (wheat) correlated areas.
