Journal Article PUBDB-2026-02189

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First-order phase transition driven by competing charge-order fluctuations in 1$T′ − TaTe_2$

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2026
Inst. Woodbury, NY

Physical review / B 114(6), 065120 () [10.1103/xg7k-8tbx]
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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)in the 1T' phase of TaTe2, which competes with fluctuating high-temperature Ta trimer bonding states at 𝐪CO=(0,13,0). The precursor state follows the temperature dependence of the hidden incommensurability of the quasi-1D nested Fermi surface. In contrast, the low-temperature commensurate charge order at 𝐪CO, 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*, involving an in-plane vibration of the Ta atoms forming a chainlike structure that renormalizes below 𝑇CO. 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.

Classification:

Contributing Institute(s):
  1. FS-SXQM (FS-SXQM)
Research Program(s):
  1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
  2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
  3. SuperFlat - Interactions, Superconductivity, Catalysis and Topology In Flat Bands (101020833) (101020833)
  4. DELIGHT - Discovering light-induced phases by first-principles material design (101052708) (101052708)
Experiment(s):
  1. PETRA Beamline P04 (PETRA III)

Appears in the scientific report 2026
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Medline ; Clarivate Analytics Master Journal List ; Current Contents - Electronics and Telecommunications Collection ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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 Record created 2026-07-22, last modified 2026-07-30


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