English

Magnetoelastic coupling in intercalated transition metal dichalcogenides

Strongly Correlated Electrons 2025-03-19 v1 Materials Science

Abstract

The large van der Waals gap in transition metal dichalcogenides (TMDs) offers an avenue to host external metal atoms that modify the ground state of these 2D materials. Here, we experimentally and theoretically address the charge correlations in a family of intercalated TMDs. While short-range charge fluctuations develop in Co1/3_{1/3}TaS2_{2} and Fe1/3_{1/3}TaS2_{2}, long-range charge order switches-on in Fe1/3_{1/3}NbS2_{2} driven by the interplay of magnetic order and lattice degrees of freedom. The magnetoelastic coupling is demonstrated in Fe1/3_{1/3}NbS2_{2} by the enhancement of the charge modulations upon magnetic field below TN_\mathrm{N}, although Density Functional Perturbation Theory (DFPT) calculations predict negligible electron(spin)-phonon coupling. Furthermore, we show that Co-intercalated TaS2_2 displays a kagome-like Fermi surface, hence opening the path to engineer electronic band structures and study the entanglement of spin, charge, and spin-phonon mechanisms in the large family of intercalated TMDs.

Keywords

Cite

@article{arxiv.2503.14444,
  title  = {Magnetoelastic coupling in intercalated transition metal dichalcogenides},
  author = {A. Kar and R. Basak and Xue Li and A. Korshunov and D. Subires and J. Phillips and C. -Y. Lim and Feng Zhou and Linxuan Song and Wenhong Wang and Yong-Chang Lau and G. Garbarino and P. Gargiani and Y. Zhao and C. Plueckthun and S. Francoual and A. Jana and I. Vobornik and T. Valla and A. Rajapitamahuni and James G. Analytis and Robert J. Birgeneau and E. Vescovo and A. Bosak and J. Dai and M. Tallarida and A. Frano and V. Pardo and S. Wu and S. Blanco-Canosa},
  journal= {arXiv preprint arXiv:2503.14444},
  year   = {2025}
}
R2 v1 2026-06-28T22:25:34.616Z