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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 Fritsch^3,4, Oliver Stockert², Jochen Wosnitza¹, and Hilbert v. Löhneysen³ — ¹Hochfeld-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 (T_C ≈ 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.