Effective bands and band-like electron transport in amorphous solids
Fuente:
arXiv
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| Autores principales: | , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| Materias: | |
| Acceso en línea: | |
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| _version_ | 1866914170528595968 |
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| author | Jankousky, Matthew Pashov, Dimitar Larsen, Ross E. Dobrosavljevic, Vladimir van Schilfgaarde, Mark Stevanovic, Vladan |
| author_facet | Jankousky, Matthew Pashov, Dimitar Larsen, Ross E. Dobrosavljevic, Vladimir van Schilfgaarde, Mark Stevanovic, Vladan |
| contents | The localization of electrons caused by atomic disorder is a well-known phenomenon. However, what circumstances allow electrons to remain delocalized and retain band-like characteristics even when the crystal structure is completely absent, as found in certain amorphous solids, is less well understood. To probe this phenomenon, we developed a fully first-principles description of the electronic structure and charge transport in amorphous solids by combining a novel representation of the amorphous state with the state-of-the-art many-body (QSGW) electronic structure theory. Using amorphous In2O3 as an example, we demonstrate the accuracy of our approach in reproducing the band-like nature of the conduction electrons as well as their disorder-limited mobility. Our approach reveals the physical origins responsible for the electron delocalization and the survival of the band dispersions despite the absence of long-range order. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_07707 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Effective bands and band-like electron transport in amorphous solids Jankousky, Matthew Pashov, Dimitar Larsen, Ross E. Dobrosavljevic, Vladimir van Schilfgaarde, Mark Stevanovic, Vladan Materials Science The localization of electrons caused by atomic disorder is a well-known phenomenon. However, what circumstances allow electrons to remain delocalized and retain band-like characteristics even when the crystal structure is completely absent, as found in certain amorphous solids, is less well understood. To probe this phenomenon, we developed a fully first-principles description of the electronic structure and charge transport in amorphous solids by combining a novel representation of the amorphous state with the state-of-the-art many-body (QSGW) electronic structure theory. Using amorphous In2O3 as an example, we demonstrate the accuracy of our approach in reproducing the band-like nature of the conduction electrons as well as their disorder-limited mobility. Our approach reveals the physical origins responsible for the electron delocalization and the survival of the band dispersions despite the absence of long-range order. |
| title | Effective bands and band-like electron transport in amorphous solids |
| topic | Materials Science |
| url | https://arxiv.org/abs/2505.07707 |