Spectral signatures of a unique charge density wave in Ta<sub>2</sub>NiSe<sub>7</sub>.

Watson, Matthew D; Louat, Alex; Cacho, Cephise; Choi, Sungkyun; Lee, Young Hee; Neumann, Michael; Kim, Gideok · Nat Commun · 2023

basic_science · Level V

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Abstract

Charge Density Waves (CDW) are commonly associated with the presence of near-Fermi level states which are separated from others, or "nested", by a wavector of q. Here we use Angle-Resolved Photo Emission Spectroscopy (ARPES) on the CDW material Ta<sub>2</sub>NiSe<sub>7</sub> and identify a total absence of any plausible nesting of states at the primary CDW wavevector q. Nevertheless we observe spectral intensity on replicas of the hole-like valence bands, shifted by a wavevector of q, which appears with the CDW transition. In contrast, we find that there is a possible nesting at 2q, and associate the characters of these bands with the reported atomic modulations at 2q. Our comprehensive electronic structure perspective shows that the CDW-like transition of Ta<sub>2</sub>NiSe<sub>7</sub> is unique, with the primary wavevector q being unrelated to any low-energy states, but suggests that the reported modulation at 2q, which would plausibly connect low-energy states, might be more important for the overall energetics of the problem.