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4 papers
Phase Competition in HfO with Applied Electric Field from First Principles
Yubo Qi, Karin M. Rabe
In this work, the results of first-principles density-functional-theory calculations are used to construct the energy landscapes of HfO and its Y and Zr substituted derivatives…
Stabilization of competing ferroelectric phases of HfO under epitaxial strain
Yubo Qi, Sobhit Singh, Claudia Lau +6
Hafnia (HfO)-based thin films have promising applications in nanoscale electronic devices due to their robust ferroelectricity and integration with silicon. However, HfO ha…
Sr-induced dipole scatter in BST: Insights from MD simulations using a transferable bond valence-based interatomic potential
Robert B. Wexler, Yubo Qi, Andrew M. Rappe
In order to design next-generation ferroelectrics, a microscopic understanding of their macroscopic properties is critical. One means to achieving an atomistic description of ferro…
Low Operation Voltage Ferroelectric Field-Effect Transistor Based on Polarization Rotation Effect
Yubo Qi, Andrew M. Rappe
The effect of polarization rotation on the performance of metal oxide semiconductor field-effect transistors was investigated with a Landau-Ginzburg-Devonshire theory based model.…