Polarisation, Born Effective Charges, and Topological Invariants via a 
Berry-Phase Approach

Carbogno, C.; Rybin, N.; Jand, S. P.; Akkoush, A.; Acosta, C. M.; Yuan, Z.; Rossi, M.

Item

ITEM ACTIONSEXPORT

Add to Basket

Local TagsRelease HistoryDetailsSummary

Released

Preprint

Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach

MPS-Authors

/persons/resource/persons232555

Akkoush, A.
The NOMAD Laboratory at the Fritz-Haber-Institut der Max-Planck-Gesellschaft ;
Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

/persons/resource/persons21421

Rossi, M.
Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

External Resource

https://arxiv.org/abs/2501.02550
(Preprint)

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

2501.02550.pdf
(Preprint), 8MB

Supplementary Material (public)

There is no public supplementary material available

Citation

Carbogno, C., Rybin, N., Jand, S. P., Akkoush, A., Acosta, C. M., Yuan, Z., et al. (2025). Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach.

Cite as: https://hdl.handle.net/21.11116/0000-0010-6407-6

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.