Kramers nodal line in the charge density wave state of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>YTe</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math> and the influence of twin domains

Recent studies have focused on the relationship between charge density wave (CDW) collective electronic ground states and nontrivial topological states. YTe<sub>3</sub>, a nonmagnetic quasi-two-dimensional chalcogenide, has been reported to exhibit a CDW state below 334 K. Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we establish that YTe3 is a CDW-induced Kramers nodal line (KNL) metal, a recently proposed topological state of matter. Scanning tunneling microscopy and low energy electron diffraction reveal two orthogonal domains, each with a unidirectional CDW and a similar wave vector (q<sub>CDW</sub>). When the influence of twin domains is considered, the effective band structure (EBS) computations that utilize DFT-calculated bands using a noncentrosymmetric structure determined by x-ray crystallography, show excellent agreement with ARPES. The noncentrosymmetry of YTe<sub>3</sub> is established by Raman spectroscopy. The Fermi surface and ARPES intensity plots show weak shadow bands displaced by q<sub>CDW</sub> 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 existence of a KNL along the Σ direction from multiple crossings of bands dispersing perpendicular to it. 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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Journal
Physical review. B./Physical review. B
Published
2025-11-14
DOI
https://doi.org/10.1103/ld4p-hl13
Primary Topic
Organic and Molecular Conductors Research
Type
article
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article

Kramers nodal line in the charge density wave state of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>YTe</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math> and the influence of twin domains

Karl J. Friston
Physical review. B./Physical review. B
Organic and Molecular Conductors Research
article

Kramers nodal line in the charge density wave state of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>YTe</mml:mi> <mml:mn>3</mml:mn> </mml:msub> </mml:math> and the influence of twin domains

Karl J. Friston
article en

Abstract

Recent studies have focused on the relationship between charge density wave (CDW) collective electronic ground states and nontrivial topological states. YTe<sub>3</sub>, a nonmagnetic quasi-two-dimensional chalcogenide, has been reported to exhibit a CDW state below 334 K. Using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT), we establish that YTe3 is a CDW-induced Kramers nodal line (KNL) metal, a recently proposed topological state of matter. Scanning tunneling microscopy and low energy electron diffraction reveal two orthogonal domains, each with a unidirectional CDW and a similar wave vector (q<sub>CDW</sub>). When the influence of twin domains is considered, the effective band structure (EBS) computations that utilize DFT-calculated bands using a noncentrosymmetric structure determined by x-ray crystallography, show excellent agreement with ARPES. The noncentrosymmetry of YTe<sub>3</sub> is established by Raman spectroscopy. The Fermi surface and ARPES intensity plots show weak shadow bands displaced by q<sub>CDW</sub> 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 existence of a KNL along the Σ direction from multiple crossings of bands dispersing perpendicular to it. Additionally, doubly degenerate bands are only found along the KNL at all energies, with some bands dispersing through the Fermi level.

Physical review. B./Physical review. BVol. 113(3)
Argonne National Laboratory (US), Raja Ramanna Centre for Advanced Technology (IN), Saha Institute of Nuclear Physics (IN), Homi Bhabha National Institute (IN), Aarhus University (DK), Elettra-Sincrotrone Trieste S.C.p.A. (IT), UGC DAE Consortium for Scientific Research (IN), Metropolitan College (GR)
Openalex Percentile: Top 70%
Organic and Molecular Conductors Research
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