English

Centrosymmetric-noncentrosymmetric Structural Phase Transition in Quasi one-dimensional compound, (TaSe$_4$)$_3$I

Strongly Correlated Electrons 2023-07-19 v1 Materials Science Superconductivity

Abstract

(TaSe4_4)3_3I, a compound belonging to the family of quasi-one-dimensional transition-metal tetrachalcogenides, has drawn significant attention due to a recent report on possible coexistence of two antagonistic phenomena, superconductivity and magnetism below 2.5~K (Bera et. al, arXiv:2111.14525). Here, we report a structural phase transition of the trimerized phase at temperature, T T~\simeq~145~K using Raman scattering, specific heat, and electrical transport measurements. The temperature-dependent single-crystal X-ray diffraction experiments establish the phase transition from a high-temperature centrosymmetric to a low-temperature non-centrosymmetric structure, belonging to the same tetragonal crystal family. The first-principle calculation finds the aforementioned inversion symmetry-breaking structural transition to be driven by the hybridization energy gain due to the off-centric movement of the Ta atoms, which wins over the elastic energy loss.

Keywords

Cite

@article{arxiv.2304.05113,
  title  = {Centrosymmetric-noncentrosymmetric Structural Phase Transition in Quasi one-dimensional compound, (TaSe$_4$)$_3$I},
  author = {Arnab Bera and Samir Rom and Suman Kalyan Pradhan and Satyabrata Bera and Sk Kalimuddin and Tanusri Saha-Dasgupta and Mintu Mondal},
  journal= {arXiv preprint arXiv:2304.05113},
  year   = {2023}
}

Comments

11 pages, 5 figures, Under review as a regular article