Engineering ferroelectricity in monoclinic hafnia
arXiv:2309.12800 · doi:10.1103/PhysRevLett.132.256801
Abstract
Ferroelectricity in the complementary metal-oxide semiconductor (CMOS)-compatible hafnia (HfO) is crucial for the fabrication of high-integration nonvolatile memory devices. However, the capture of ferroelectricity in HfO requires the stabilization of thermodynamically-metastable orthorhombic or rhombohedral phases, which entails the introduction of defects (e.g., dopants and vacancies) and pays the price of crystal imperfections, causing unpleasant wake-up and fatigue effects. Here, we report a theoretical strategy on the realization of robust ferroelectricity in HfO-based ferroelectrics by designing a series of epitaxial (HfO)/(CeO) superlattices. The advantages of the designated ferroelectric superlattices are defects free, and most importantly, on the base of the thermodynamically stable monoclinic phase of HfO. Consequently, this allows the creation of superior ferroelectric properties with an electric polarization 25 C/cm and an ultralow polarization-switching energy barrier at 2.5 meV/atom. Our work may open an entirely new route towards the fabrication of high-performance HfO based ferroelectric devices.
References in corpus (21)
- Restoring the density-gradient expansion for exchange in solids and surfaces
- Generalized gradient approximation for solids and their surfaces
- The Origin of Ferroelectricity in Hf Zr O: A Computational Investigation and a Surface Energy Model
- Lattice dynamics of anharmonic solids from first principles
- Temperature dependent effective potential method for accurate free energy calculations of solids
- A rhombohedral ferroelectric phase in epitaxially-strained Hf0.5Zr0.5O2 thin films
- Pathways Towards Ferroelectricity in Hafnia
- Temperature dependent effective third order interatomic force constants from first principles
- Octahedral rotation-induced ferroelectricity in cation ordered perovskites
- Turning ABO antiferroelectrics into ferroelectrics: Design rules for practical rotation-driven ferroelectricity in double perovskites and ABO Ruddlesden-Popper compounds
- Intrinsic ferroelectricity in Y-doped HfO2 thin films
- Kinetically-stabilized Ferroelectricity in Bulk Singlecrystalline HfO2:Y without Wake-up Effects
- Engineering Ferroelectric Hf0.5Zr0.5O2 Thin Films by Epitaxial Stress
- Thermal Anharmonic Effects in PbTe from First Principles
- Structural Polymorphism Kinetics Promoted by Charged Oxygen Vacancies in HfO
- Effects of Growth Orientations and Epitaxial Strains on Phase Stability of HfO Thin Films
- Stabilization of competing ferroelectric phases of HfO under epitaxial strain
- Guidelines for the stabilization of a polar rhombohedral phase in epitaxial Hf0.5Zr0.5O2 thin films
- Epitaxial ferroelectric hafnia stabilized by symmetry constraints
- Flexoelectricity-stabilized ferroelectric phase with enhanced reliability in ultrathin La:HfO2 films
- The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafnia