English

First-order phase transition driven by competing charge-order fluctuations in 1T'-TaTe$_{2}$

Strongly Correlated Electrons 2025-10-16 v1 Materials Science

Abstract

First-order phase transitions, characterized by a discontinuous change in the order parameter, are intriguing phenomena in condensed matter physics. However, the underlying, material-specific, microscopic mechanisms often remain unclear. Here, we unveil a high-temperature incommensurate charge-order precursor with the wave vector q=(0,14+δ,12)\mathbf{q}^* = (0, \frac{1}{4}+\delta, \frac{1}{2}) in the 1T' phase of TaTe2_2, which competes with fluctuating high-temperature Ta trimer bonding states at qCO=(0,13,0)\mathbf{q}_\mathrm{CO} =(0, \frac{1}{3}, 0). The precursor state follows the temperature dependence of the hidden incommensurability of the quasi\textit{quasi}-1D nested Fermi surface. In contrast, the low-temperature commensurate charge order at qCO\mathbf{q}_\mathrm{CO}, characterized by a charge disproportionation of the inequivalent Ta sites, appears to be driven by local chemical bonding. Dynamical lattice calculations identify an imaginary optical mode at q\mathbf{q}^*, involving an in-plane vibration of the Ta atoms forming a chain-like structure that renormalizes below TCOT_\mathrm{CO}. Our experimental and theoretical observations suggest that the controversial first-order phase transition, as captured by phenomenological Ginzburg-Landau theory, results from the competition between two order parameters: one involving Fermi surface nesting and the other involving local chemical bonding.

Keywords

Cite

@article{arxiv.2510.13603,
  title  = {First-order phase transition driven by competing charge-order fluctuations in 1T'-TaTe$_{2}$},
  author = {S. K. Mahatha and A. Kar and J. Corral-Sertal and Josu Diego and A. Korshunov and C. -Y. Lim and F. K. Diekmann and D. Subires and J. Phillips and T. Kim and D. Ishikawa and G. Marini and I. Vobornik and Ion Errea and S. Rohlf and M. Kalläne and V. Bellini and A. Q. R. Baron and Adolfo O. Fumega and A. Bosak and V. Pardo and K. Rossnagel and S. Blanco-Canosa},
  journal= {arXiv preprint arXiv:2510.13603},
  year   = {2025}
}