Dresden 2009 – wissenschaftliches Programm

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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

Mittwoch, 25. März 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 Eyert³ — ¹Experimentalphysik 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.