Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires Article Swipe
Thomas Linker
,
Shogo Fukushima
,
Rajiv K. Kalia
,
Aravind Krishnamoorthy
,
Aiichiro Nakano
,
Ken‐ichi Nomura
,
Kohei Shimamura
,
Fuyuki Shimojo
,
Priya Vashishta
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.3389/fnano.2022.884149
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.3389/fnano.2022.884149
Recent discoveries of polar topological structures ( e.g ., skyrmions and merons) in ferroelectric/paraelectric heterostructures have opened a new field of polar topotronics. However, how complex interplay of photoexcitation, electric field and mechanical strain controls these topological structures remains elusive. To address this challenge, we have developed a computational approach at the nexus of machine learning and first-principles simulations. Our multiscale neural-network quantum molecular dynamics molecular mechanics approach achieves orders-of-magnitude faster computation, while maintaining quantum-mechanical accuracy for atoms within the region of interest. This approach has enabled us to investigate the dynamics of vortex states formed in PbTiO 3 nanowires embedded in SrTiO 3 . We find topological switching of these vortex states to topologically trivial, uniformly polarized states using electric field and trivial domain-wall states using shear strain. These results, along with our earlier results on optical control of polar topology, suggest an exciting new avenue toward opto-electro-mechanical control of ultrafast, ultralow-power polar topotronic devices.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3389/fnano.2022.884149
- https://www.frontiersin.org/articles/10.3389/fnano.2022.884149/pdf
- OA Status
- gold
- References
- 17
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4293661327
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4293661327Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.3389/fnano.2022.884149Digital Object Identifier
- Title
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Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowiresWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2022Year of publication
- Publication date
-
2022-08-30Full publication date if available
- Authors
-
Thomas Linker, Shogo Fukushima, Rajiv K. Kalia, Aravind Krishnamoorthy, Aiichiro Nakano, Ken‐ichi Nomura, Kohei Shimamura, Fuyuki Shimojo, Priya VashishtaList of authors in order
- Landing page
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https://doi.org/10.3389/fnano.2022.884149Publisher landing page
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https://www.frontiersin.org/articles/10.3389/fnano.2022.884149/pdfDirect link to full text PDF
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
- OA URL
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https://www.frontiersin.org/articles/10.3389/fnano.2022.884149/pdfDirect OA link when available
- Concepts
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Nanowire, Electric field, Topology (electrical circuits), Topological defect, Quantum, Polar, Vortex, Physics, Condensed matter physics, Materials science, Quantum mechanics, Mathematics, Combinatorics, ThermodynamicsTop concepts (fields/topics) attached by OpenAlex
- Cited by
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0Total citation count in OpenAlex
- References (count)
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17Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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