5 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…
Electron Doping Stabilization of Highly-Polar Supertetragonal BaSnO3
Qing Zhang, Karin M. Rabe, Xiaohui Liu
Could electrons stabilize ferroelectric polarization in unpolarized system? Basically, electron doping was thought to be contrary to polarization due to the well-known picture that…
Competing phases of HfO from unstable flat phonon bands of an unconventional high-symmetry structure
Yubo Qi, Karin M. Rabe
We carry out first-principles calculations to demonstrate that the complex energy landscape and competing phases of HfO can be understood from the four unstable flat phonon ban…
Stacking-dependent electronic structure of ultrathin perovskite bilayers
Daniel T. Larson, Daniel Bennett, Abduhla Ali +4
Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moiré patterns through a relative rotation betwe…
Supertetragonal BaSnO3 induced giant ferroelectricity in SrTiO3/BaSnO3 superlattices
Jing Li, Qing Zhang, Karin M. Rabe +1
Perovskite BaSnO3 has an Sn s-orbital conduction band minimum, which makes it of interest as a transparent-conducting oxide parent compound but also contraindicates the ferroelectr…