ID | 64175 |
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Author |
Misawa, Masaaki
Faculty of Natural Science and Technology, Okayama University
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Hokyo, Hinata
Department of Physics, Kumamoto University
Fukushima, Shogo
Department of Physics, Kumamoto University
Shimamura, Kohei
Department of Physics, Kumamoto University
Koura, Akihide
Department of Physics, Kumamoto University
Shimojo, Fuyuki
Department of Physics, Kumamoto University
Kalia, Rajiv K.
Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, and Department of Biological Science, University of Southern California
Nakano, Aiichiro
Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, and Department of Biological Science, University of Southern California
Vashishta, Priya
Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, Department of Computer Science, Department of Chemical Engineering and Materials Science, and Department of Biological Science, University of Southern California
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Abstract | Typical ductile materials are metals, which deform by the motion of defects like dislocations in association with non-directional metallic bonds. Unfortunately, this textbook mechanism does not operate in most inorganic semiconductors at ambient temperature, thus severely limiting the development of much-needed flexible electronic devices. We found a shear-deformation mechanism in a recently discovered ductile semiconductor, monoclinic-silver sulfide (Ag2S), which is defect-free, omni-directional, and preserving perfect crystallinity. Our first-principles molecular dynamics simulations elucidate the ductile deformation mechanism in monoclinic-Ag2S under six types of shear systems. Planer mass movement of sulfur atoms plays an important role for the remarkable structural recovery of sulfur-sublattice. This in turn arises from a distinctively high symmetry of the anion-sublattice in Ag2S, which is not seen in other brittle silver chalcogenides. Such mechanistic and lattice-symmetric understanding provides a guideline for designing even higher-performance ductile inorganic semiconductors.
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Published Date | 2022-11-14
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Publication Title |
Scientific Reports
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Volume | volume12
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Issue | issue1
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Publisher | Nature Portfolio
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Start Page | 19458
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ISSN | 2045-2322
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Content Type |
Journal Article
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language |
English
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OAI-PMH Set |
岡山大学
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Copyright Holders | © The Author(s) 2022
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File Version | publisher
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Related Url | isVersionOf https://doi.org/10.1038/s41598-022-24004-z
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License | http://creativecommons.org/licenses/by/4.0/
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