Vincenzo Fiorentini

Oxygen deficiency and valency reconstruction in multiferroic V-doped HfO 2

The interplay of oxygen deficiency and vanadium multiple valency in the candidate multiferroic V-doped P c a 2 1 hafnia HfO 2 is studied by first-principles calculations. Low-lying V majority gap states accept electrons from oxygen-vacancy donors, reducing their formation energy,...