The contradiction between thermodynamic and kinetic effects of stress-modulated antiferroelectricity in ZrO2 thin films

Abstract

The discovery of antiferroelectricity in fluorite-structured binary oxides has opened up promising directions for next-generation electronic devices due to their excellent scalability and compatibility with silicon technology. However, understanding and improving the antiferroelectricity remain ambiguous and present considerable challenges for device applications. In this work, we discover a contradiction between the thermodynamic and kinetic effects of stress-modulated antiferroelectricity in ZrO2 thin films. On the one hand, we observe a monotonically enhanced antiferroelectricity in a ZrO2 thin film grown on the bottom electrode with a reduced coefficient of thermal expansion, i.e., ranging from Ni to TiN and W. The combined experimental characterizations and first-principle calculations show that the out-of-plane compressive stress induced by the electrode promotes the formation of the tetragonal phase, producing enhanced antiferroelectricity. On the other hand, the out-of-plane compressive stress increases the energy barrier between the tetragonal and polar orthorhombic phases, hindering the reversible phase transition between them. As a result, the antiferroelectricity of the samples annealed with top electrodes is worse compared to those without top electrodes. Our findings not only deepen the understanding of antiferroelectricity in ZrO2 thin films but also provide a strategy for improvement.

Graphical abstract: The contradiction between thermodynamic and kinetic effects of stress-modulated antiferroelectricity in ZrO2 thin films

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Article information

Article type
Communication
Submitted
25 Jun 2024
Accepted
20 Aug 2024
First published
20 Aug 2024

Mater. Horiz., 2024, Advance Article

The contradiction between thermodynamic and kinetic effects of stress-modulated antiferroelectricity in ZrO2 thin films

Q. He, T. Yu, B. Zeng, P. Hao, S. Zheng, Q. Peng, Y. Zhou and M. Liao, Mater. Horiz., 2024, Advance Article , DOI: 10.1039/D4MH00811A

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