Origin and evolution of ferroelectricity in the layered rare-earth-titanate, $R_2$Ti${}_2$O${}_7$, Lichtenberg phases

Maribel Núñez Valdez, Nicola A. Spaldin

We report a systematic first-principles study based on density functional theory (DFT) of the structural and ferroelectric properties of the $R_2$Ti${}_2$O${}_7$ perovskite-related o…