Dresden 2026 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 92: Transport – Poster

TT 92.18: Poster

Donnerstag, 12. März 2026, 18:00–20:00, P4

Simulation of charge density wave effects in the layered van der Waals material GdTe₃ — •Shen van Hassel¹, Sergii Grytsiuk¹, and Malte Rösner^{1, 2} — ¹Radboud University, Nijmegen, Netherlands — ²Bielefeld University, Bielefeld, Germany

In this study, we use ab initio downfolding techniques to demonstrate that the Fermi surface (FS) of the undistorted rare-earth tritelluride GdTe₃ can be accurately represented by a minimal tight-binding model derived from the in-plane p-orbitals of the Te bilayer. To examine the effect of the charge density wave (CDW) in GdTe₃, we expand our Hamiltonian to effectively model electron-phonon interactions by assuming and testing self-energy models within the Nambu-Gor’kov space. We calculate the spectral function, which agrees well with experimental ARPES data. Our results provide a simple and effective model for simulating CDW effects in GdTe₃, paving the way for a fully ab initio approach applicable to a broader class of materials.

Keywords: Charge density wave; Layered van der Waals materials; Density functional theory; Condensed matter quantum field theory; Ab initio downfolding