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Ferroelectricity in hafnia is often regarded as a breakthrough discovery in ferroelectrics, potentially able to revolutionize the whole field. Despite increasing interests, a comprehensive understanding of the many factors driving the…

Materials Science · Physics 2021-06-16 Francesco Delodovici , Paolo Barone , Silvia Picozzi

Ferroelectric $\mathrm{HfO}_2$ has attracted extensive research interest for its applications in AI era. The domain walls play a crucial role in phase structure stabilization and polarization switching of ferroelectric $\mathrm{HfO}_2$,…

Materials Science · Physics 2026-03-17 Chenxi Yu , Jiajia Zhang , Xujin Song , Dijiang Sun , Shangze Li , Fei Liu , Xiaoyan Liu , Wei Xi , Jinfeng Kang

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

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

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

Though the electrical responses of the various polymorphs found in ferroelectric polycrystalline thin film HfO$_2$ are now well characterized, little is currently understood of this novel material's grain sub-structure. In particular, the…

Materials Science · Physics 2017-09-26 Everett D. Grimley , Tony Schenk , Thomas Mikolajick , Uwe Schroeder , James M. LeBeau

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

Since the first report of ferroelectricity in nanoscale HfO$_2$-based thin films in 2011, this silicon-compatible binary oxide has quickly garnered intense interest in academia and industry, and continues to do so. Despite its deceivingly…

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

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

The discovery of ferroelectric HfO2 in thin films and more recently in bulk is an important breakthrough because of its silicon-compatibility and unexpectedly persistent polarization at low dimensions, but the origin of its ferroelectricity…

Computational Physics · Physics 2021-06-24 Ri He , Hongyu Wu , Shi Liu , Houfang Liu , X. Renshaw Wang , Zhicheng Zhong

After the discovery of ferroelectricity in HfO$_2$ based thin films a decade ago, ferroelectric Hf$_{0.5}$Zr$_{0.5}$O$_2$ (HZO) thin films are frequently being utilized in the CMOS (Complementary Metal- Oxide Semiconductor) and logic…

Materials Science · Physics 2024-09-11 Deepak Kumar

Ferroelectricity observed in thin film $\mathrm{HfO_2}$, either doped with Si, Al, etc. or in the $\mathrm{Hf_{0.5}Zr_{0.5}O_2}$ form, has gained great technical significance. However, the soft mode theory faces a difficulty in explaining…

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

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…

Hafnia (HfO2) is a silicon-compatible dielectric material, yet stabilizing its desired but metastable ferroelectric phase remains challenging. Phase stability predictions by density functional theory (DFT) have provided crucial guidance,…

Materials Science · Physics 2026-04-21 Yiheng Shen , Chang Liu , Wei Xie , Wei Ren

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

We study the complex ferroelastic/ferroelectric domain structure in the prototypical ferroelectric PbTiO3 epitaxially strained on (110)o-oriented DyScO3 substrates, using a combination of atomic force microscopy, laboratory and synchrotron…

We demonstrate that small but finite ferroelectric polarization ($\sim$0.01 $\mu$C/cm$^2$) emerges in orthorhombic LuFeO$_3$ ($Pnma$) at $T_N$ ($\sim$600 K) because of commensurate (k = 0) and collinear magnetic structure. The synchrotron…

Ferroelectric HfO$_2$ has emerged as a highly promising material for high-density nonvolatile memory and nanoscale transistor applications. However, the uncertain origin of polarization in HfO$_2$ limits our ability to fully understand and…

Materials Science · Physics 2026-03-11 Seongjoo Jung , Turan Birol

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…

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