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Ferroelectric hafnia is being explored for next generation electronics due to its robust ferroelectricity in nanoscale samples and its compatibility with silicon. However, its ferroelectricity is not understood. Other ferroelectrics usually…

Materials Science · Physics 2022-04-15 Aldo Raeliarijaona , R. E. Cohen

We clarify the nature of hafnia as a proper ferroelectric and show that there is a shallow double well involving a single soft polar mode as in well-known classic ferroelectrics. Using symmetry analysis, density-functional theory (DFT)…

Materials Science · Physics 2023-07-27 Aldo Raeliarijaona , R. E. Cohen

Ferroelectric memories experienced a revival in the last decade due to the discovery of ferroelectricity in HfO$_2$-based nanometer-thick thin films. These films exhibit exceptional silicon compatibility, overcoming the scaling and…

Materials Science · Physics 2024-08-27 Tianyuan Zhu , Shiqing Deng , Shi Liu

HfO2, a simple binary oxide, holds ultra-scalable ferroelectricity integrable into silicon technology. Polar orthorhombic (Pbc21) form in ultra-thin-films ascribes as the plausible root-cause of the astonishing ferroelectricity, which has…

We investigate the possible stabilization of ferroelectricity in bulk Y2O3-doped hafnia and zirconia. We use density functional theory (DFT) with large random supercells of hafnia and zirconia and study the relative phase stability of the…

Materials Science · Physics 2025-09-03 Li Yin , Cong Liu , R. E. Cohen

The antipolar $Pbcn$ phase of HfO$_2$ has been suggested to play an important role in the phase transition and polarization switching mechanisms in ferroelectric hafnia. In this study, we perform a comprehensive benchmark of density…

Materials Science · Physics 2025-03-06 Di Fan , Tianyuan Zhu , Shi Liu

Hafnia (HfO$_2$)-based thin films have promising applications in nanoscale electronic devices due to their robust ferroelectricity and integration with silicon. However, HfO$_2$ has various stable and metastable polymorphs with quite…

While ferroelectric hafnia ($\mathrm{HfO_2}$) has become a technically important material for microelectronics, the physical origin of its ferroelectricity remains poorly understood. The tetragonal $P4_2/nmc$ phase is commonly assigned as…

Materials Science · Physics 2024-09-17 Heng Yu , Kan-Hao Xue , Nan Feng , Yunzhe Zheng , Yan Cheng , Ben Xu , Xiangshui Miao

Hafnia-based ferroelectrics hold promise for nonvolatile ferroelectric memory devices. However, the high coercive field required for polarization switching remains a prime obstacle to their practical applications. A notable reduction in…

Materials Science · Physics 2025-02-11 Tianyuan Zhu , Liyang Ma , Xu Duan , Shi Liu

Although dopants have been extensively employed to promote ferroelectricity in hafnia films, their role in stabilizing the responsible ferroelectric non-equilibrium Pca21 phase is not well understood. In this work, using first principles…

Materials Science · Physics 2017-07-14 Rohit Batra , Tran Doan Huan , George A. Rossetti, , Rampi Ramprasad

Ferroelectricity in binary oxides including hafnia and zirconia have riveted the attention of the scientific community due to highly unconventional physical mechanisms and the potential for integration of these materials into semiconductor…

Recent observations of unusual ferroelectricity in thin films of HfO_2 and related materials have attracted broad interest to the materials and led to the emergence of a number of competing models for observed behaviors. Here we develop the…

Materials Science · Physics 2018-11-27 Maya D. Glinchuk , Anna N. Morozovska , Yunseok Kim , Sergei V. Kalinin

Hafnia-based ferroelectrics have become a valuable class of electronic functional materials at the nanoscale, showing great potential for next-generation memory and logic devices. However, more robust ferroelectric properties and better…

Zirconia and hafnia based thin films have attracted tremendous attention in the last decade due to their unexpected ferroelectric behavior at the nanoscale, which facilitates the downscaling of ferroelectric devices. The present work…

Wake-up effect is still an obstacle in the commercialization of hafnia-based ferroelectric thin films. In this work, we investigate the effect of defects, controlled by ozone dosage, on the field cycling behavior of the atomic layer…

Materials Science · Physics 2020-09-11 Alireza Kashir , Seungyeol Oh , Hyunsang Hwang

Since the discovery of ferroelectricity in HfO$_2$ thin films, significant research has focused on Zr-doped HfO$_2$ and solid solution (Hf,Zr)O$_2$ thin films. Functional properties can be further tuned via multilayering, however, this…

Since its discovery, ferroelectric hafnia has been extensively studied due to its CMOS-compatibility and ability to remain polarized at sub-10 nm thicknesses. The ferroelectric behaviour is generally attributed to a polar orthorhombic…

Materials Science · Physics 2026-04-17 Johanna van Gent Gonzalez , Ewout van der Veer , Yulei Li , Daniel A. Chaney , Beatriz Noheda

Hafnia ferroelectrics combine technological promise and unprecedented behaviors. Their peculiarity stems from the many active extrinsic mechanisms that contribute to their properties and from a continuously growing number of novel intrinsic…

Materials Science · Physics 2023-11-15 Hugo Aramberri , Jorge Íñiguez

The metastable orthorhombic phase of hafnia is generally obtained in polycrystalline films, whereas in epitaxial films, its formation has been much less investigated. We have grown Hf0.5Zr0.5O2 films by pulsed laser deposition, and the…

Materials Science · Physics 2019-02-28 Jike Lyu , Ignasi Fina , Raul Solanas , Josep Fontcuberta , Florencio Sánchez

After decades of searching for robust nanoscale ferroelectricity that could enable integration into the next generation memory and logic devices, hafnia-based thin films have appeared as the ultimate candidate because their ferroelectric…

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