Phase diagrams and polarization reversal in nanosized HfxZr1–xO2–y

Eliseev, Eugene A.; Zagorodniy, Yuri O.; Pavlikov, Victor N.; Leshchenko, Oksana V.; Shevliakova, Hanna V.; Karpets, Miroslav V.; Yaremkevych, Andrei D.; Fesenko, Olena M.; Kalinin, Sergei V.; Morozovska, Anna N.

doi:10.1063/5.0209123

Phase diagrams and polarization reversal in nanosized Hf_xZr_1–xO_2–y

Journal Article · Wed May 22 00:00:00 EDT 2024 · AIP Advances

DOI:https://doi.org/10.1063/5.0209123· OSTI ID:2507331

^[1]; ^[2]; Pavlikov, Victor N. ^[2]; ^[2]; ^[3]; Karpets, Miroslav V. ^[2]; Yaremkevych, Andrei D. ^[2]; Fesenko, Olena M. ^[2]; ^[4]; ^[2]

National Academy of Sciences of Ukraine, Kyiv (Ukraine); University of Tennessee-Knoxville
National Academy of Sciences of Ukraine, Kyiv (Ukraine)
National Technical University of Ukraine “Igor Sikorsky Kyiv Polytechnic Institute,” Kyiv (Ukraine)
University of Tennessee, Knoxville, TN (United States)

To describe the polar properties of nanosized Hf_xZr_1–xO_2–y, we evolve the “effective” Landau–Ginzburg–Devonshire (LGD) model based on the parametrization of the Landau expansion coefficients for polar and antipolar orderings. We have shown that the effective LGD model can predict the influence of screening conditions and size effects on phase diagrams, polarization reversal, and structural properties of nanosized Hf_xZr_1–xO_2–y of various shapes and sizes. To verify the model, we use the available experimental results for Hf_xZr_1–xO₂ thin films and oxygen-deficient HfO2–y nanoparticles prepared under different annealing conditions. X-ray diffraction, which was used to determine the phase composition of the HfO_2–y nanoparticles, revealed the formation of a ferroelectric orthorhombic phase in them. Micro-Raman spectroscopy was used to explore the correlation of lattice dynamics and structural changes that depend on the oxygen vacancy concentration in the HfO_2–y nanoparticles. Since our approach allows us to determine the conditions (shape, sizes, Zr content, and/or oxygen vacancy amount) for which nanosized Hf_xZr_1–xO_2–y are ferroelectric or antiferroelectric, we hope that the obtained results are useful for creation of next generation Si-compatible ferroelectric gate oxide nanomaterials.

View Accepted Manuscript (DOE)

Research Organization:: University of Tennessee, Knoxville, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0021118

OSTI ID:: 2507331

Journal Information:: AIP Advances, Journal Name: AIP Advances Journal Issue: 5 Vol. 14; ISSN 2158-3226

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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