Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866913636663951360 |
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| author | Carbogno, Christian Rybin, Nikita Jand, Sara Panahian Akkoush, Alaa Acosta, Carlos Mera Yuan, Zhenkun Rossi, Mariana |
| author_facet | Carbogno, Christian Rybin, Nikita Jand, Sara Panahian Akkoush, Alaa Acosta, Carlos Mera Yuan, Zhenkun Rossi, Mariana |
| contents | This paper represents one contribution to a larger Roadmap article reviewing the current status of the FHI-aims code. In this contribution, the implementation of polarization, Born-effective charges and topological invariants using a Berry-phase approach in a all-electron, numeric atom-centered orbitals framework is summarized. Guidelines on usage and links to tutorials are provided. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2501_02550 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach Carbogno, Christian Rybin, Nikita Jand, Sara Panahian Akkoush, Alaa Acosta, Carlos Mera Yuan, Zhenkun Rossi, Mariana Materials Science Chemical Physics This paper represents one contribution to a larger Roadmap article reviewing the current status of the FHI-aims code. In this contribution, the implementation of polarization, Born-effective charges and topological invariants using a Berry-phase approach in a all-electron, numeric atom-centered orbitals framework is summarized. Guidelines on usage and links to tutorials are provided. |
| title | Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach |
| topic | Materials Science Chemical Physics |
| url | https://arxiv.org/abs/2501.02550 |