232 citations · 637 across the 18 of their papers we have counts for
18 papers
Atomic-scale theory of robust out-of-plane ferroelectricity in ultrathin films
Fengbo Yuan, Yujia Teng, Karin M. Rabe +1
Ferroelectricity in ultrathin films, characterized by robust switchable out-of-plane polarization, is key to next-generation nanoelectronics. Although the macroscopic theory of fer…
Bridging experiment and theory of relaxor ferroelectrics at the atomic scale with multislice electron ptychography
Menglin Zhu, Michael Xu, Yubo Qi +7
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypica…
"Double-path" ferroelectrics and the sign of the piezoelectric response
Yubo Qi, Sebastian E. Reyes-Lillo, Karin M. Rabe
In this work, we propose a class of ferroelectrics (which we denote "double-path" ferroelectrics), characterized by two competing polarization switching paths for which the change…
Vibrational fingerprints of ferroelectric hafnia
Shiyu Fan, Sobhit Singh, Xianghan Xu +6
Hafnia (HfO2) is a promising material for emerging chip applications due to its high-k dielectric behaviour, suitability for negative capacitance heterostructures, scalable ferroel…
Polarization switching mechanism in HfO from first-principles lattice mode analysis
Yubo Qi, Sobhit Singh, Karin M. Rabe
In this work, we carry out first-principles calculations and lattice mode analysis to investigate the polarization switching mechanism in HfO. Because the stability of the pola…
Electron-lattice coupling contributions to polarization switching in charge-order-induced ferroelectrics
Yubo Qi, Karin M. Rabe
We carry out first-principles density-functional-theory calculations to elucidate the polarization switching mechanism in charge-ordering-induced ferroelectrics based on the protot…