Pyroelectric and electrocaloric properties of core-shell HfxZr1-xO2 nanoparticles: theory and experiment
Abstract
Nanosized hafnia-zirconia (HfxZr1-xO2) in the form of thin films, multilayers, and nanoparticles is one of the most promising CMOS-compatible ferroelectric materials for advanced electronic memories and logic devices. Using the Landau-Ginzburg-Devonshire free energy functional with trilinear and biquadratic couplings of polar, nonpolar, and antipolar order parameters, we analyze the pyroelectric and electrocaloric properties in an ensemble of spherical core-shell HfxZr1-xO2 nanoparticles. To test the theoretical model, we experimentally measured the temperature dependence of the electric charge accumulated in pressed powders consisting of oxygen-deficient core-shell Hf0.5Zr0.5O2 nanoparticles with an average size of 7 nm. The observed temperature-dependent behavior of the accumulated charge and its derivative are in qualitative agreement with the calculated polarization and pyroelectric coefficient for the ensemble of densely packed spherical core-shell HfxZr1-xO2 nanoparticles; this suggests that the theoretical model captures the physical mechanisms responsible for the experimentally observed charge accumulation. The combined theoretical and experimental results provide a physical foundation for the future development of CMOS-compatible HfxZr1-xO2 nanoparticles for pyroelectric and electrocaloric applications.
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BibTeX
@misc{morozovska2026pyroelectric,
title = {{Pyroelectric and electrocaloric properties of core-shell HfxZr1-xO2 nanoparticles: theory and experiment}},
author = {Anna N. Morozovska and Oleksandr S. Pylypchuk and Nicholas V. Morozovsky and Eugene A. Eliseev and Dean R. Evans},
howpublished = {arXiv},
year = {2026},
month = oct,
doi = {10.48550/arxiv.2606.22654},
eprint = {2606.22654},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2606.22654},
}
RIS
TY - UNPB
TI - Pyroelectric and electrocaloric properties of core-shell HfxZr1-xO2 nanoparticles: theory and experiment
AU - Anna N. Morozovska
AU - Oleksandr S. Pylypchuk
AU - Nicholas V. Morozovsky
AU - Eugene A. Eliseev
AU - Dean R. Evans
PY - 2026
DA - 2026/10/02
PB - arXiv
DO - 10.48550/arxiv.2606.22654
UR - https://arxiv.org/abs/2606.22654
AB - Nanosized hafnia-zirconia (HfxZr1-xO2) in the form of thin films, multilayers, and nanoparticles is one of the most promising CMOS-compatible ferroelectric materials for advanced electronic memories and logic devices. Using the Landau-Ginzburg-Devonshire free energy functional with trilinear and biquadratic couplings of polar, nonpolar, and antipolar order parameters, we analyze the pyroelectric and electrocaloric properties in an ensemble of spherical core-shell HfxZr1-xO2 nanoparticles. To test the theoretical model, we experimentally measured the temperature dependence of the electric charge accumulated in pressed powders consisting of oxygen-deficient core-shell Hf0.5Zr0.5O2 nanoparticles with an average size of 7 nm. The observed temperature-dependent behavior of the accumulated charge and its derivative are in qualitative agreement with the calculated polarization and pyroelectric coefficient for the ensemble of densely packed spherical core-shell HfxZr1-xO2 nanoparticles; this suggests that the theoretical model captures the physical mechanisms responsible for the experimentally observed charge accumulation. The combined theoretical and experimental results provide a physical foundation for the future development of CMOS-compatible HfxZr1-xO2 nanoparticles for pyroelectric and electrocaloric applications.
ER -