7 papers
Twist-induced Out-of-plane Ferroelectricity in Bilayer Hafnia
Jian Huang, Gwan Yeong Jung, Pravan Omprakash +6
Ferroelectric HfO2 is a promising candidate for next-generation memory devices due to its CMOS compatibility and ability to retain polarization at nanometer scales. However, the po…
Hole-doping reduces the coercive field in ferroelectric hafnia
Pravan Omprakash, Gwan Yeong Jung, Guodong Ren +1
Ferroelectric hafnia (HfO2) holds promise for next-generation memory and logic applications because of its CMOS compatibility. However, the high coercive field required for polariz…
Design Rules and Discovery of Face-Sharing Hexagonal Perovskites
M. J. Swamynadhan, Gwan Yeong Jung, Pravan Omprakash +1
Hexagonal perovskites with face-sharing octahedral connectivity are an underexplored class of materials. We propose quantitative design principles for stabilizing face-sharing ABX3…
Sub-nm2 ferroelectric domains via charged 180 degree walls in ZrO2
Nashrah Afroze, Hamoon Fahrvandi, Guodong Ren +31
Flat phonon bands in fluorite ferroelectrics (HfO2 or ZrO2) shrink polar domains laterally to an irreducible half-unit-cell width (0.27 nm) within which the vertical arrangement of…
Antiferroelectric Hafnia Down to the 2D Limit
Xin Li, Guodong Ren, Haidong Lu +16
Antiferroelectricity is a material property characterized by alternating electric dipoles spontaneously ordered in antiparallel directions. Antiferroelectrics are promising for ene…
SymPlex Plots for Visualizing Properties in High-Dimensional Alloy Spaces
John Cavin, Pravan Omprakash, Adrien Couet +1
Conventional visualization tools such as phase diagrams and convex hulls are ill-suited to visualize multiple principal element alloys (MPEAs) due to their large compositional spac…