2 papers
cond-mat.mtrl-sci2023
Hafnia HfO is a Proper Ferroelectric
Aldo Raeliarijaona, R. E. Cohen
We clarify the nature of hafnia as a proper ferroelectric and show that there is a shallow double well involving a single soft polar mode as in well-known classic ferroelectrics. U…
cond-mat.mtrl-sci2023
Origin of Wake-Up Effect in Hafnia
Aldo Raeliarijaona, R. E. Cohen
We performed density functional theory (DFT) calculations on epitaxially strained hafnia. We demonstrate the stabilization of the ferroelectric () phase from the antiferr…