Copper dynamics and structural-transformation in noble metal chalcogenides CuAgS probed by 63Cu NMR

Atomic-scale dynamics of a representative noble metal chalcogenide superionic conductor, stromeyerite (CuAgS), were examined by nuclear magnetic resonance (NMR) spectroscopy at various temperatures. Motional narrowing of 63Cu NMR line width was found in its cubic phase, demonstrating copper ions start diffusing via a hopping process. Moreover, the absence of 63Cu NMR signal in its orthorhombic or hexagonal phases was discussed, which could be well explained by copper ordering and reduced local symmetry at copper sites. The above NMR results are relevant for understanding its electron-crystal phonon-liquid behaviors and transient structure-transformation, which are associated with extremely low thermal conductivities and abnormal change of thermal power during superionic phase transition in this material.