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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…

We report on the crystal structure and ferroelectric properties of epitaxial ZrO$_2$ films ranging from 7 to 42 nm thickness grown on La$_{0.67}$Sr$_{0.33}$MnO$_3$-buffered (110)-oriented SrTiO$_3$ substrate. By employing X-ray diffraction,…

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…

Doped HfO2 and HfO2-ZrO2 compounds are gaining significant interest thanks to their ferroelectric properties in ultrathin films. Here, we show that ZrO2 could be a playground for doping and strain engineering to increase the thickness in…

Materials Science · Physics 2022-09-01 Ali El Boutaybi , Thomas Maroutian , Ludovic Largeau , Sylvia Matzen , Philippe Lecoeur

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

The discovery of ferroelectricity in both pure and doped HfO$_2$-based thin films have revitalized the interest in using ferroelectrics for nanoscale device applications. To take advantage of this silicon-compatible ferroelectric,…

Materials Science · Physics 2019-05-22 Shi Liu , Brendan M Hanrahan

The structural, thermal, and dielectric properties of the ferroelectric phase of HfO$_2$, ZrO$_2$ and Hf$_{0.5}$ Zr$_{0.5}$ O$_2$ (HZO) are investigated with carefully validated density functional computations. We find, that the free bulk…

Materials Science · Physics 2015-07-03 Robin Materlik , Christopher Künneth , Alfred Kersch

The unconventional Si-compatible ferroelectricity in hafnia-based systems, which becomes robust only at nanoscopic sizes, has attracted a lot of interest. While a metastable polar orthorhombic (o-) phase (Pca21) is widely regarded as the…

Materials Science · Physics 2021-01-05 Pavan Nukala , Yingfen Wei , Vincent de Haas , Qikai Guo , Jordi Antoja-Lleonart , Beatriz Noheda

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…

The discovery of ferroelectric polarization in HfO2-based ultrathin films has spawned a lot of interest due to their potential applications in data storage. Recently, a new R3m rhombohedral phase was proposed to be responsible for the…

Materials Science · Physics 2020-07-29 Yuke Zhang , Qiong Yang , Lingling Tao , Evgeny Y. Tsymbal , Vitaly Alexandrov

A comparative theoretical study is presented for the rhombohedral R3 and R3m phase HfO2, of two possible forms in its heavily Zr-doped ferroelectric thin films found recently in experiments. Their structural stability and polarization under…

Materials Science · Physics 2023-07-03 Wenbin Ouyang , Fanghao Jia , Wei Ren

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

Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…

Ferroelectric fluorite dioxides like hafnium (HfO2)-based materials are considered to be one of the most potential candidates for nowadays large-scale integrated-circuits (ICs). While zirconia (ZrO2)-based fluorites materials, which has the…

Materials Science · Physics 2025-03-05 Xianglong Li , Zengxu Xu , Songbai Hu , Mingqiang Gu , Yuanmin Zhu , Qi Liu , Yihao Yang , Mao Ye , Lang Chen

Doped HfO2 thin films exhibit robust ferroelectric properties even for nanometric thicknesses, are compatible with current Si technology and thus have great potential for the revival of integrated ferroelectrics. Phase control and…

The critical impact of epitaxial stress on the stabilization of the ferroelectric orthorhombic phase of hafnia is proved. Epitaxial bilayers of Hf0.5Zr0.5O2 and La0.67Sr0.33MnO3 electrodes were grown on a set of single crystalline oxide…

Ferroelectrics display spontaneous and switchable electrical polarization. Until recently, ferroelectricity was believed to disappear at the nanoscale; now, nano-ferroelectrics are being considered in numerous applications. This renewed…

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

Density functional calculations are performed to investigate the experimentally-reported field-induced phase transition in thin-film ZrO2 (J. Muller et al., Nano. Lett. 12, 4318). We find a small energy difference of ~ 1 meV/f.u. between…

Materials Science · Physics 2014-10-22 Sebastian E. Reyes-Lillo , Kevin F. Garrity , Karin M. Rabe

Ferroelectricity, especially in hafnia-based thin films at nanosizes, has been rejuvenated in the fields of low-power, nonvolatile and Si-compatible modern memory and logic applications. Despite tremendous efforts to explore the formation…

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