Causes of ferroelectricity in HfO${}_2$-based thin films: An $\text{ab initio}$ perspective

Mehmet Dogan, Nanbo Gong, Tso-Ping Ma +1

We present a comprehensive first principles study of doped hafnia in order to understand the formation of the ferroelectric orthorhombic [001] grains. Assuming that tetragonal grai…