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| Autori principali: | , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| Soggetti: | |
| Accesso online: | https://arxiv.org/abs/2512.07491 |
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| _version_ | 1866917132918325248 |
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| author | Zhang, Yuanhao Yuan, Zi Kong, Xiangru Gong, Weijiang Li, Shaozhi |
| author_facet | Zhang, Yuanhao Yuan, Zi Kong, Xiangru Gong, Weijiang Li, Shaozhi |
| contents | Understanding the interplay between charge order and lattice instability in quantum materials remains a central challenge, as their coexistence often obscures causal relationships. This work introduces $\mathrm{C}_6\mathrm{Li}$ as a novel platform to investigate charge order mediated by two distinct mechanisms. We show that the hybridization between carbon $π$ and lithium $s$ orbitals generates an effective long-range hopping within Li-centered hexagons. This hopping drives a Kekulé bond order, whose structure varies with charge density and the sign of the hopping. This bond order induces a Kekulé lattice distortion via electron-phonon coupling. In the limit where lithium atoms are distant from the graphene layer, a Fermi surface nesting-driven Kekulé bond order emerges, stabilized by the electron-phonon interaction. Our results establish $\mathrm{C}_6\mathrm{Li}$ as a tunable platform for elucidating the causal hierarchy between electronic and structural orders in quantum materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_07491 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Interplay of Kekulé bond order and lattice instability in $\mathrm{C}_6\mathrm{Li}$ Zhang, Yuanhao Yuan, Zi Kong, Xiangru Gong, Weijiang Li, Shaozhi Strongly Correlated Electrons Materials Science Understanding the interplay between charge order and lattice instability in quantum materials remains a central challenge, as their coexistence often obscures causal relationships. This work introduces $\mathrm{C}_6\mathrm{Li}$ as a novel platform to investigate charge order mediated by two distinct mechanisms. We show that the hybridization between carbon $π$ and lithium $s$ orbitals generates an effective long-range hopping within Li-centered hexagons. This hopping drives a Kekulé bond order, whose structure varies with charge density and the sign of the hopping. This bond order induces a Kekulé lattice distortion via electron-phonon coupling. In the limit where lithium atoms are distant from the graphene layer, a Fermi surface nesting-driven Kekulé bond order emerges, stabilized by the electron-phonon interaction. Our results establish $\mathrm{C}_6\mathrm{Li}$ as a tunable platform for elucidating the causal hierarchy between electronic and structural orders in quantum materials. |
| title | Interplay of Kekulé bond order and lattice instability in $\mathrm{C}_6\mathrm{Li}$ |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2512.07491 |