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Spectroscopy of the frustrated quantum antiferromagnet Cs$_2$CuCl$_4$

Strongly Correlated Electrons 2022-11-21 v1 Materials Science

Abstract

We investigate the electronic structure of Cs2_2CuCl4_4, a material discussed in the framework of a frustrated quantum antiferromagnet, by means of resonant inelastic x-ray scattering (RIXS) and Density Functional Theory (DFT). From the non-dispersive highly localized dd excitations, we resolve the crystal field splitting of the Cu2+^{2+} ions in a strongly distorted tetrahedral coordination. This allows us to model the RIXS spectrum within the Crystal Field Theory (CFT), assign the dd orbital excitations and retrieve experimentally the values of the crystal field splitting parameters Dq_q, Ds_s and Dτ_{\tau}. The electronic structure obtained ab-initio agrees with the RIXS spectrum and modelled by CFT, highlighting the potential of combined spectroscopic, cluster and DFT calculations to determine the electronic ground state of complex materials.

Keywords

Cite

@article{arxiv.2211.09841,
  title  = {Spectroscopy of the frustrated quantum antiferromagnet Cs$_2$CuCl$_4$},
  author = {Adolfo O. Fumega and D. Wong and C. Schulz and F. Rodríguez and S. Blanco-Canosa},
  journal= {arXiv preprint arXiv:2211.09841},
  year   = {2022}
}

Comments

7 pages, 4 figures