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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2604.00665 |
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| _version_ | 1866918423194238976 |
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| author | Hu, Jiaming Guo, Zhichao Liang, Jingyi Monserrat, Bartomeu |
| author_facet | Hu, Jiaming Guo, Zhichao Liang, Jingyi Monserrat, Bartomeu |
| contents | Superionic phase transitions have attracted extensive interest for decades due to their promising applications and rich underlying physics. In particular, complicated many-body effects and nonadiabatic dynamics are believed to play essential roles, limiting the explanatory power of phenomenological approaches and obscuring the microscopic mechanisms at play. In this work, we develop a unified theoretical framework for describing solid-state ionic conduction. After reviewing the conventional approximations, we construct a general lattice model that applies to both normal ionic and superionic conductors. By incorporating the nonadiabatic concerted-hopping mechanism and the many-body Coulomb interaction within a self-consistent mean-field scheme, we identify these two effects as the fundamental driving forces behind type-I and type-II superionic phase transitions, respectively. Our model directly reproduces key experimental observations. Within this unified framework, we further provide a comprehensive comparison between the two types of transitions. Overall, our work offers microscopic insight into superionic phase transitions and provides guidance for the design and optimization of advanced solid-state ionic conductors. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_00665 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Microscopic Theory of Superionic Phase Transitions: Nonadiabatic Dynamics and Many-Body Effects Hu, Jiaming Guo, Zhichao Liang, Jingyi Monserrat, Bartomeu Materials Science Superionic phase transitions have attracted extensive interest for decades due to their promising applications and rich underlying physics. In particular, complicated many-body effects and nonadiabatic dynamics are believed to play essential roles, limiting the explanatory power of phenomenological approaches and obscuring the microscopic mechanisms at play. In this work, we develop a unified theoretical framework for describing solid-state ionic conduction. After reviewing the conventional approximations, we construct a general lattice model that applies to both normal ionic and superionic conductors. By incorporating the nonadiabatic concerted-hopping mechanism and the many-body Coulomb interaction within a self-consistent mean-field scheme, we identify these two effects as the fundamental driving forces behind type-I and type-II superionic phase transitions, respectively. Our model directly reproduces key experimental observations. Within this unified framework, we further provide a comprehensive comparison between the two types of transitions. Overall, our work offers microscopic insight into superionic phase transitions and provides guidance for the design and optimization of advanced solid-state ionic conductors. |
| title | Microscopic Theory of Superionic Phase Transitions: Nonadiabatic Dynamics and Many-Body Effects |
| topic | Materials Science |
| url | https://arxiv.org/abs/2604.00665 |