Kramers nodal line in the charge density wave state of YTe_3 and the influence of twin domains
arxiv(2024)
摘要
Recent studies have focused on the relationship between charge density wave
(CDW) collective electronic ground states and nontrivial topological states.
Using angle-resolved photoemission and density functional theory, we establish
that YTe_3 is a CDW-induced Kramers nodal line (KNL) metal, a newly proposed
topological state of matter. YTe_3 is a non-magnetic quasi-2D chalcogenide
with a CDW wave vector (q_ cdw) of 0.2907c^*. Scanning tunneling
microscopy and low energy electron diffraction revealed two orthogonal CDW
domains, each with a unidirectional CDW and similar YTe_3. The effective band
structure (EBS) computations, using DFT-calculated folded bands, show excellent
agreement with ARPES because a realistic x-ray crystal structure and twin
domains are considered in the calculations. The Fermi surface and ARPES
intensity plots show weak shadow bands displaced by q_ cdw from the main
bands. These are linked to CDW modulation, as the EBS calculation confirms.
Bilayer split main and shadow bands suggest the existence of crossings,
according to theory and experiment. DFT bands, including spin-orbit coupling,
indicate a nodal line along the Σ line from multiple band crossings
perpendicular to the KNL. Additionally, doubly degenerate bands are only found
along the KNL at all energies, with some bands dispersing through the Fermi
level.
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