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 [101] directions, respectively. (b) Energy profiles of Ag atom at site 1 along 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.