Dresden 2026 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 49: Correlated Electrons: Charge Order
TT 49.7: Vortrag
Mittwoch, 11. März 2026, 12:15–12:30, HSZ/0101
On the origin of charge density waves as an emergent phenomenon from the electron-phonon interactions in ZrTe3 — •Raghottam M Sattigeri1,2, Niccolò Mignani1, Claudia Dallera1, Ettore Carpene1, Simona Achilli2, and Alberto Crepaldi1 — 1Physics Department, Politecnico di Milano, Milan, Italy — 2Physics Department, University of Milan, Milan, Italy
Charge density ordering is not elusive in electronic structures which are highly anisotropic, thus indicating a strong electron-phonon (e-ph) interaction which drives such phenomenon. There has been an active debate on the origin of such ordering in two-dimensional transition metal dichalcogenides, however, similar investigations for bulk materials are scarce. It is evident from experiments that, quasi one-dimensional crystal structure ZrTe3 exhibits stable modulations with long-range ordering which facilitates the system to host charge density waves (CDW). We address and investigate thoroughly the origin of CDW in bulk ZrTe3 using density functional theory based first-principles calculations. We analyze the role of electronic instability and e-ph coupling, respectively, as possible mechanisms for the formation of CDW. From our calculations we were able to identify a peak in the the Lindhard response function and strong e-ph interactions suggesting that, both, the electronic and phononic contributions have a role in the process of CDW ordering in ZrTe3.
Keywords: charge density waves; electron-phonon interactions; density functional theory