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PreprintarXiv licencearXiv

Charge-Order pattern in κ-BEDT-TTF salts: A model independent, selection rule approach

Abstract

A well known vibrational selection rule is invoked to determine the charge order (CO) pattern displayed by the most interesting members of the widely studied class of κ-BEDT-TTF salts and their molecular analogues. The selection rule indicates that an easily identifiable Raman band should be present if intra-dimer charge disproportionation occurs, constituting a sort of model independent ``litmus test''. The absence of such a band in the available Raman spectra of κ-BEDT-TTF salts exhibiting static of fluctuating CO, strongly suggests that the CO pattern involves inter-dimer CO, in contrast with the universally accepted intra-dimer disprortionation. This paper therefore poses a challenge for the theoretical modeling of the concerned salts: either the lack of the Raman band sensitive to intra-dimer CO pattern is explained, or the modeling of the multivariate, unique physical properties of these κ-phase salts (spin frustration, electronic ferroelectricity etc.) has to start from the perspective of a different ground state.

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BibTeX
@misc{girlando2026chargeorder,
  title = {{Charge-Order pattern in $κ$-BEDT-TTF salts: A model independent, selection rule approach}},
  author = {Alberto Girlando},
  howpublished = {arXiv},
  year = {2026},
  month = nov,
  doi = {10.48550/arxiv.2611.00798},
  eprint = {2611.00798},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2611.00798},
}
RIS
TY  - UNPB
TI  - Charge-Order pattern in κ-BEDT-TTF salts: A model independent, selection rule approach
AU  - Alberto Girlando
PY  - 2026
DA  - 2026/11/01
PB  - arXiv
DO  - 10.48550/arxiv.2611.00798
UR  - https://arxiv.org/abs/2611.00798
AB  - A well known vibrational selection rule is invoked to determine the charge order (CO) pattern displayed by the most interesting members of the widely studied class of κ-BEDT-TTF salts and their molecular analogues. The selection rule indicates that an easily identifiable Raman band should be present if intra-dimer charge disproportionation occurs, constituting a sort of model independent ``litmus test''. The absence of such a band in the available Raman spectra of κ-BEDT-TTF salts exhibiting static of fluctuating CO, strongly suggests that the CO pattern involves inter-dimer CO, in contrast with the universally accepted intra-dimer disprortionation. This paper therefore poses a challenge for the theoretical modeling of the concerned salts: either the lack of the Raman band sensitive to intra-dimer CO pattern is explained, or the modeling of the multivariate, unique physical properties of these κ-phase salts (spin frustration, electronic ferroelectricity etc.) has to start from the perspective of a different ground state.
ER  -