Highly parallelizable electronic transport calculations in periodic Rhodium and Copper nanostructures
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arXiv
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| Auteurs principaux: | , , |
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| Format: | Preprint |
| Publié: |
2022
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| _version_ | 1866911760515072000 |
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| author | Zhu, Shifeng Feldman, Baruch Dunham, Scott |
| author_facet | Zhu, Shifeng Feldman, Baruch Dunham, Scott |
| contents | We extend the highly-parallelizable open-source electronic transport code TRANSEC to perform real-space atomic-scale electronic transport calculations with periodic boundary conditions in the lateral dimensions. We demonstrate the use of TRANSEC in periodic Cu and Rh bulk structures and in large periodic Rh point contacts, in preparation to perform calculations of reflection probability across Rh grain boundaries. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2208_02783 |
| institution | arXiv |
| publishDate | 2022 |
| record_format | arxiv |
| spellingShingle | Highly parallelizable electronic transport calculations in periodic Rhodium and Copper nanostructures Zhu, Shifeng Feldman, Baruch Dunham, Scott Mesoscale and Nanoscale Physics Materials Science We extend the highly-parallelizable open-source electronic transport code TRANSEC to perform real-space atomic-scale electronic transport calculations with periodic boundary conditions in the lateral dimensions. We demonstrate the use of TRANSEC in periodic Cu and Rh bulk structures and in large periodic Rh point contacts, in preparation to perform calculations of reflection probability across Rh grain boundaries. |
| title | Highly parallelizable electronic transport calculations in periodic Rhodium and Copper nanostructures |
| topic | Mesoscale and Nanoscale Physics Materials Science |
| url | https://arxiv.org/abs/2208.02783 |