A phonon-driven mechanism for an emergent and reversible chirality in crystals
Fuente:
arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866911970651799552 |
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| author | Fava, Mauro McCabe, Emma Romero, Aldo H. Bousquet, Eric |
| author_facet | Fava, Mauro McCabe, Emma Romero, Aldo H. Bousquet, Eric |
| contents | We demonstrate through first-principles calculations applied to the K$_{3}$NiO$_{2}$ crystal that a structural phase transition from an achiral to a chiral phase can be mediated by a degenerate soft phonon mode and controlled by pressure and epitaxial strain. Breaking such degeneracy with an electric field generates a competition between enantiomorphic, polar, and orthorhombic displacements. Originated by the interaction between spontaneous chiral and induced polar and axial modes, an optimal parameter window for converting the handedness of the system into its opposite kind is observed. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_12696 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | A phonon-driven mechanism for an emergent and reversible chirality in crystals Fava, Mauro McCabe, Emma Romero, Aldo H. Bousquet, Eric Materials Science We demonstrate through first-principles calculations applied to the K$_{3}$NiO$_{2}$ crystal that a structural phase transition from an achiral to a chiral phase can be mediated by a degenerate soft phonon mode and controlled by pressure and epitaxial strain. Breaking such degeneracy with an electric field generates a competition between enantiomorphic, polar, and orthorhombic displacements. Originated by the interaction between spontaneous chiral and induced polar and axial modes, an optimal parameter window for converting the handedness of the system into its opposite kind is observed. |
| title | A phonon-driven mechanism for an emergent and reversible chirality in crystals |
| topic | Materials Science |
| url | https://arxiv.org/abs/2405.12696 |