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 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 at position 1along the five paths with respect to the energy of the initial structure. The highest points of curves refer to the highest values of energy along the five diffusion paths.