Understanding and Predicting the Activation Energy of Oxygen Migration in Pr0.5Ca0.5MnO₃: A DFT study

$\mathrm{Pr}_{1-x}\mathrm{Ca}_{x}\mathrm{MnO}_{3}(\mathrm{PCMO}(x))$ is a popularly explored material for the resistive random access memory (RRAM) application. The oxygen vacancy migration in $\mathrm{PCMO}(x)$ is pivotal for resistive switching. In the present work, the first principles calculations are performed to predict the stability of charged oxygen vacancy and its migration dynamics in $\operatorname{Pr}_{0.5} \mathrm{Ca}_{0.5} \mathrm{MnO}_3$. The oxygen vacancy migration calculations yield activation energies, ranging in 0.68-1.14 eV, which will improve our understanding towards the doping impacted oxygen migration in $\mathrm{PCMO}(x)$-RRAMs.