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Dresden 2009 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 33: Postersession Correlated Electrons: Metal Insulator Transition, Spin Systems and Itinerant Magnets

TT 33.5: Poster

Wednesday, March 25, 2009, 14:00–18:00, P1A

The Fermi Surface of MoO2 as studied by photoelectron spectroscopy, de Haas-van Alphen measurements and electronic structure calculations — •Jörg Kündel1, Judith Moosburger-Will1, Siegfried Horn1, Udo Schwingenschlögl2, and Volker Eyert31Experimentalphysik II, Universität Augsburg — 2Theoretische Physik II, Universität Augsburg — 3Center for Electronic Correlations and Magnetism, Universität Augsburg

A comprehensive study of the electronic properties of monoclinic MoO2 from both an experimental and a theoretical point of view is presented. We focus on the investigation of the Fermi body and the band structure using angle resolved photoemission spectroscopy, de Haas-van Alphen measurements, and electronic structure calculations. For the latter, the new full-potential augmented spherical wave (ASW) method has been applied. Very good agreement between the experimental and theoretical results is found. In particular, all Fermi surface sheets are correctly identified by all three approaches.

Our results underline the importance of electronic structure calculations for the understanding of MoO2 and the neighbouring rutile-type early transition-metal dioxides. This includes the low-temperature insulating phases of VO2 and NbO2 , which have crystal structures very similar to that of molybdenum dioxide and display the well-known prominent metal-insulator transitions.

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