Berlin 2015 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 71: Correlated Electrons: Poster Session

TT 71.6: Poster

Mittwoch, 18. März 2015, 15:00–18:00, Poster B

DFT Study on (La,Ce)TiGe3 — •Tobias Förster1, Helge Rosner2, Jacob Grasemann1, Marc Uhlarz1, Wolfram Kittler3, Veronika Fritsch3,4, Oliver Stockert2, Jochen Wosnitza1, and Hilbert v. Löhneysen31Hochfeld-Magnetlabor Dresden (HLD), Helmholtz-Zentrum Dresden-Rossendorf, 01328 Dresden, Germany — 2Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden, Germany — 3Karlsruher Institut für Technologie, 76049 Karlsruhe, Germany — 4Institut für Physik, Universität Augsburg, 86135 Augsburg, Germany

CeTiGe3 presents the rare case of a ferromagnetically (TC ≈ 14 K) ordered Kondo-lattice compound and is probably the first known example of an intermetallic hexagonal perovskite of the BaNiO3 structure type. LaTiGe3 is the nonmagnetic analogue. To clarify the interplay between structural, localized, and itinerant degrees of freedom an accurate knowledge of the electronic band structure is necessary. Here, we present detailed comparative electronic structure calculations for both compounds. Applying full potential density functional calculations in different approximations, we attempt to separate the influence of different parameters of the crystal structure on the topology and character of the respective Fermi surfaces. We compare our calculated results with de Haas-van Alphen measurements.

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DPG-Physik > DPG-Verhandlungen > 2015 > Berlin