Molecular dynamic simulation of interstitial oxide ion migration in Pb1-xLaxWO4+x/2 scheelite

Atomistic simulations indicate that interstitial oxygen defects in Pb1-xLaxWO4+x/2 scheelite can be accommodated via forming corner-shared W2O9 units and migrate through a cooperative oxygen-oxygen knock-on mechanism involving continuous breaking and reformation of W2O9 units.258