Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach
Materials Science
2025-01-07 v1 Chemical Physics
Abstract
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.
Keywords
Cite
@article{arxiv.2501.02550,
title = {Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach},
author = {Christian Carbogno and Nikita Rybin and Sara Panahian Jand and Alaa Akkoush and Carlos Mera Acosta and Zhenkun Yuan and Mariana Rossi},
journal= {arXiv preprint arXiv:2501.02550},
year = {2025}
}