Optimal migration path of Ag in HfO2: A first-principles study*
Dai Yue-Hua†a), Chen Zhena), Jin Boa), Li Ninga), Li Xiao-Fengb)
       
Unit cell of HfO2. The numbers 1, 2, and 3 represent the possible interstitial sites, and the number 4 refers to the possible substitutional site. The smaller balls represent O atoms, and the bigger balls denote the Hf atoms.