Delicate Competition Between Different Excitonic Orderings in Ta2NiSe5
We investigate the energetics of the quasi-one-dimensional layered compound Ta2NiSe5 in the excitonic phase within the six-band model using Hartree–Fock calculations. We calculate energies of states with different kinds of excitonic order and show that they differ by less than meV and depend sensitively on precise values of interchain hopping matrix elements.
Authors
- Banhi Chatterjee (ORCID: https://orcid.org/0000-0003-3032-6717)
- Denis Golež (ORCID: https://orcid.org/0000-0002-6054-2552)
- Jernej Mravlje (ORCID: https://orcid.org/0000-0001-6174-2401)
Institutions
- University of Ljubljana (SI)
- Jožef Stefan Institute (SI)
- University of Duisburg-Essen (DE)
Publication Details
- Journal
- Crystals
- Published
- 2025-04-28
- DOI
- https://doi.org/10.3390/cryst15050414
- Citations
- 1
- Primary Topic
- Inorganic Chemistry and Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.54
Funders
- Javna Agencija za Raziskovalno Dejavnost RS