Optimal migration path of Ag in HfO<sub>2</sub>: A first-principles study<xref ref-type="fn" rid="cpb150128fn1">*</xref>

Optimal migration path of Ag in HfO₂: A first-principles study*

Dai Yue-Hua†^a), Chen Zhen^a), Jin Bo^a), Li Ning^a), Li Xiao-Feng^b)

(a) Five different diffusion paths of Ag atoms (at site 3) in HfO₂. Paths A , B , C , D , and E are along the [100], [010], [001], , and [110] directions, respectively. (b) Energy profiles of Ag atom along the five paths with respect to its energy in the initial structure. The highest points of curves refer to the highest values of energy along the five diffusion paths.