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TT: Fachverband Tiefe Temperaturen
TT 18: Correlated Electrons: Low-dimensional Systems - Materials 2
TT 18.7: Talk
Tuesday, February 26, 2008, 16:45–17:00, H 2053
On the metallic conductivity of the delafossites PdCoO2 and PtCoO2 — •Volker Eyert1,2, Raymond Frésard1, and Antoine Maignan1 — 1Laboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508, 6 Boulevard Maréchal Juin, 14050 Caen Cedex, France — 2Center for Electronic Correlations and Magnetism, Institut für Physik, Universität Augsburg, 86135 Augsburg, Germany
The origin of the quasi two-dimensional behavior of PdCoO2 and PtCoO2 is investigated by means of electronic structure calculations. They are performed using density functional theory in the local density approximation as well as the new full-potential augmented spherical wave method. We show that the electric conductivity is carried almost exclusively by the in-plane Pd (Pt) d orbitals. In contrast, the insulating O–Co–O sandwich layers of octahedrally coordinated Co atoms may be regarded as charge carrier reservoirs. This leads to a weak coupling of the Pd (Pt) layers and causes the strong anisotropy of the electric conductivity.