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Enhanced Piezoelectric Response at Nanoscale Vortex Structures in Ferroelectrics
Abstract
The piezoelectric response is a measure of the sensitivity of a material’s polarization to stress or its strain to an applied field. Using in operando X-ray Bragg coherent diffraction imaging, we observe that topological vortices are the source of a 5-fold enhancement of the piezoelectric response near the vortex core. The vortices form where several low-symmetry ferroelectric phases and phase boundaries coalesce. Unlike bulk ferroelectric solid solutions in which a large piezoelectric response is associated with coexisting phases in the proximity of the triple point, the largest responses for pure BaTiO3 at the nanoscale are in spatial regions of extremely small spontaneous polarization at vortex cores. The response decays inversely with polarization away from the vortex, analogous to the behavior in bulk ceramics as the cation compositions are varied away from the triple point. We use first-principles based molecular dynamics to augment our observations, and our results suggest that nanoscale piezoelectric materials with a large piezoelectric response can be designed within a parameter space governed by vortex cores. Furthermore, our findings have implications for the development of next-generation nanoscale piezoelectric materials.
- Authors:
-
- Rensselaer Polytechnic Institute, Troy, NY (United States)
- University of South Florida, Tampa, FL (United States)
- ESRF - The European Synchrotron (France)
- New Mexico State University, Las Cruces, NM (United States)
- Advanced Photon Source, Argonne, IL (United States)
- Xi’an Jiaotong University (China)
- Technical University of Darmstadt (Germany)
- AiMaterials Research LLC, Santa Fe, NM (United States)
- Publication Date:
- Research Org.:
- Rensselaer Polytechnic Inst., Troy, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); USDOE
- OSTI Identifier:
- 2305460
- Alternate Identifier(s):
- OSTI ID: 2283254
- Grant/Contract Number:
- SC0023148; AC02-06CH11357; SC0005245; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Applied Materials and Interfaces
- Additional Journal Information:
- Journal Volume: 16; Journal Issue: 6; Journal ID: ISSN 1944-8244
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; piezoelectric response; Bragg coherent X-ray diffraction imaging; topological ferroelectric vortex structure; nanocrystal; phase coexistence; molecular dynamics
Citation Formats
Shi, Xiaowen, Nazirkar, Nimish Prashant, Kashikar, Ravi, Karpov, Dmitry, Folarin, Shola, Barringer, Zachary, Williams, Skye, Kiefer, Boris, Harder, Ross, Cha, Wonsuk, Yuan, Ruihao, Liu, Zhen, Xue, Dezhen, Lookman, Turab, Ponomareva, Inna, and Fohtung, Edwin. Enhanced Piezoelectric Response at Nanoscale Vortex Structures in Ferroelectrics. United States: N. p., 2024.
Web. doi:10.1021/acsami.3c06018.
Shi, Xiaowen, Nazirkar, Nimish Prashant, Kashikar, Ravi, Karpov, Dmitry, Folarin, Shola, Barringer, Zachary, Williams, Skye, Kiefer, Boris, Harder, Ross, Cha, Wonsuk, Yuan, Ruihao, Liu, Zhen, Xue, Dezhen, Lookman, Turab, Ponomareva, Inna, & Fohtung, Edwin. Enhanced Piezoelectric Response at Nanoscale Vortex Structures in Ferroelectrics. United States. https://doi.org/10.1021/acsami.3c06018
Shi, Xiaowen, Nazirkar, Nimish Prashant, Kashikar, Ravi, Karpov, Dmitry, Folarin, Shola, Barringer, Zachary, Williams, Skye, Kiefer, Boris, Harder, Ross, Cha, Wonsuk, Yuan, Ruihao, Liu, Zhen, Xue, Dezhen, Lookman, Turab, Ponomareva, Inna, and Fohtung, Edwin. Tue .
"Enhanced Piezoelectric Response at Nanoscale Vortex Structures in Ferroelectrics". United States. https://doi.org/10.1021/acsami.3c06018.
@article{osti_2305460,
title = {Enhanced Piezoelectric Response at Nanoscale Vortex Structures in Ferroelectrics},
author = {Shi, Xiaowen and Nazirkar, Nimish Prashant and Kashikar, Ravi and Karpov, Dmitry and Folarin, Shola and Barringer, Zachary and Williams, Skye and Kiefer, Boris and Harder, Ross and Cha, Wonsuk and Yuan, Ruihao and Liu, Zhen and Xue, Dezhen and Lookman, Turab and Ponomareva, Inna and Fohtung, Edwin},
abstractNote = {The piezoelectric response is a measure of the sensitivity of a material’s polarization to stress or its strain to an applied field. Using in operando X-ray Bragg coherent diffraction imaging, we observe that topological vortices are the source of a 5-fold enhancement of the piezoelectric response near the vortex core. The vortices form where several low-symmetry ferroelectric phases and phase boundaries coalesce. Unlike bulk ferroelectric solid solutions in which a large piezoelectric response is associated with coexisting phases in the proximity of the triple point, the largest responses for pure BaTiO3 at the nanoscale are in spatial regions of extremely small spontaneous polarization at vortex cores. The response decays inversely with polarization away from the vortex, analogous to the behavior in bulk ceramics as the cation compositions are varied away from the triple point. We use first-principles based molecular dynamics to augment our observations, and our results suggest that nanoscale piezoelectric materials with a large piezoelectric response can be designed within a parameter space governed by vortex cores. Furthermore, our findings have implications for the development of next-generation nanoscale piezoelectric materials.},
doi = {10.1021/acsami.3c06018},
journal = {ACS Applied Materials and Interfaces},
number = 6,
volume = 16,
place = {United States},
year = {Tue Jan 30 00:00:00 EST 2024},
month = {Tue Jan 30 00:00:00 EST 2024}
}
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