Regensburg 2019 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 12: Poster session I
MM 12.23: Poster
Montag, 1. April 2019, 19:15–20:45, Poster C
DFT study of the charge density wave metal LuNiC2 — •Soner Steiner1,2,3, Herwig Michor2, and Dominik Legut1 — 1IT4Innovations, VSB - Technical University of Ostrava, Ostrava, Czech Republic — 2Institute of Solid State Physics, TU Wien, 1040 Wien, Austria — 3University of Applied Sciences Wiener Neustadt, Austria
We have investigated the charge density wave (CDW) metal LuNiC2 by means of density functional theory (DFT) . We report on the electronic structure, fermi surface and the CDW transition. The formation of a significant gap due to the CDW transition is seen in the density of states at the Fermi level, which reduces the electronic density of states from N(Ef)=1.03 states/eV f.u. without CDW to N(Ef)=0.4 states/eV f.u. . The Sommerfeld value corresponding to the CDW density of states at the Fermi level is in reasonable agreement with the experimental value. The formation of the CDW modulated structure is causing a fragmentation of the Fermi surface into several isolated electron and hole pockets.