Insulator-to-Metal Transitions Driven by Quantized Formal Polarization Mismatch
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arXiv
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| Natura: | Preprint |
| Pubblicazione: |
2026
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| _version_ | 1866912997749817344 |
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| author | Pang, Hongsheng He, Lixin |
| author_facet | Pang, Hongsheng He, Lixin |
| contents | We propose a mechanism for insulator-to-metal (IM) transitions driven by the mismatch of quantized formal polarization (QFP), a symmetry-protected bulk invariant. For a material with a low-symmetry insulating phase and a high-symmetry phase that allow distinct QFPs, any continuous path connecting them while preserving the symmetry of the low-symmetry phase must inevitably pass through an IM transition. The reason is that QFP remains invariant along any gapped symmetry-preserving evolution, whereas the high-symmetry phase requires a different QFP, which can only be accommodated by gap closing. First-principles calculations on two representative systems, two-dimensional InPS$_3$ and three-dimensional CdBiO$_3$, confirm this mechanism. Our results establish QFP mismatch as a general symmetry constraint on phase evolution and reveal a new route to symmetry-driven IM transitions in high-symmetry materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_01530 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Insulator-to-Metal Transitions Driven by Quantized Formal Polarization Mismatch Pang, Hongsheng He, Lixin Materials Science We propose a mechanism for insulator-to-metal (IM) transitions driven by the mismatch of quantized formal polarization (QFP), a symmetry-protected bulk invariant. For a material with a low-symmetry insulating phase and a high-symmetry phase that allow distinct QFPs, any continuous path connecting them while preserving the symmetry of the low-symmetry phase must inevitably pass through an IM transition. The reason is that QFP remains invariant along any gapped symmetry-preserving evolution, whereas the high-symmetry phase requires a different QFP, which can only be accommodated by gap closing. First-principles calculations on two representative systems, two-dimensional InPS$_3$ and three-dimensional CdBiO$_3$, confirm this mechanism. Our results establish QFP mismatch as a general symmetry constraint on phase evolution and reveal a new route to symmetry-driven IM transitions in high-symmetry materials. |
| title | Insulator-to-Metal Transitions Driven by Quantized Formal Polarization Mismatch |
| topic | Materials Science |
| url | https://arxiv.org/abs/2604.01530 |