Unconventional Anisotropic Charge Dynamics in Bulk 1T-TaS_{2} Induced by Interlayer Dimerization.

Authors

Achyut Tiwari, Maxim Wenzel, R Mathew Roy, Christian Prange, Bruno Gompf, Martin Dressel

Published in

Physical review letters. Volume 137. Issue 12. Pages 126501. Sep 18, 2026.

Abstract

The commensurate charge-density-wave phase of the prototypical transition metal dichalcogenide 1T-TaS_{2} is investigated by temperature- and polarization-dependent infrared spectroscopy, revealing distinct charge dynamics parallel and perpendicular to the layers. Supported by density-functional-theory calculations, we show that the in-plane electronic structure in the low-temperature commensurate phase is reconstructed by the sqrt[13]×sqrt[13] distortion of the Ta layers. In contrast, the out-of-plane response is governed by a quasi-one-dimensional, Peierls-like dimerization of the two-dimensional Star of David layers. Our results identify this dimerization as the dominant mechanism of the metal-to-insulator transition in both directions, rather than correlation-driven Mott localization.

PMID:
42826960
Bibliographic data and abstract were imported from PubMed on 03 Oct 2026.

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