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Antiferroelectricity in thin-filmZrO2from first principles
Open accessAbstract
Recently antiferroelectric-like double-hysteresis loops have been experimentally reported in ZrO${}_{2}$, but the mechanism for this behavior has been unclear. In this work, the authors use first-principles calculations to show that antiferroelectricity is an intrinsic property of ZrO${}_{2}$ that appears via a previously unrecognized mechanism where the polarization is stabilized by zone-boundary modes.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Multigram Scale Synthesis and Characterization of Monodisperse Tetragonal Zirconia Nanocrystals
Joo, J., Yu, T., Kim, Y. W., Park, H. M., Wu, F., Zhang, J. Z., & Hyeon, T. (2003) · Journal of the American Chemical Society · doi:10.1021/ja034258b · Cited by 412
Cited by
Materlik, R., Künneth, C., & Kersch, A. (2015) · Journal of Applied Physics · doi:10.1063/1.4916707 · Cited by 866
Scale-free ferroelectricity induced by flat phonon bands in HfO 2
Lee, H.-J., Lee, M., Lee, K., Jo, J., Yang, H., Kim, Y., Chae, S. C., Waghmare, U., & Lee, J. H. (2020) · Science · doi:10.1126/science.aba0067 · Cited by 485
Complex Internal Bias Fields in Ferroelectric Hafnium Oxide
Schenk, T., Hoffmann, M., Ocker, J., Pešić, M., Mikolajick, T., & Schroeder, U. (2015) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.5b05773 · Cited by 280
Electric field cycling behavior of ferroelectric hafnium oxide
Schenk, T., Schroeder, U., Pešić, M., Popovici, M., Pershin, Y. V., & Mikolajick, T. (2014) · ACS Applied Materials & Interfaces · doi:10.1021/am504837r · Cited by 197
Doped Hf0.5Zr0.5O2 for high efficiency integrated supercapacitors
Lomenzo, P. D., Chung, C.-C., Zhou, C., Jones, J. L., & Nishida, T. (2017) · Applied Physics Letters · doi:10.1063/1.4985297 · Cited by 117
Metadata
- Authors
- Reyes-Lillo, S. E., Garrity, K. F., & Rabe, K. M.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2014-10-13
- Volume
- 90
- Issue
- 14
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1992703960
- Cited by
- 287
- References
- 2
- FWCI
- 6.54
- Type
- journal article
- Language
- en
- Open access
- green
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- Reyes-Lillo, S. E., Garrity, K. F., & Rabe, K. M. (2014). Antiferroelectricity in thin-filmZrO2from first principles. Physical Review B. https://doi.org/10.1103/physrevb.90.140103
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