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TT: Tiefe Temperaturen
TT 22: Postersitzung III: Syst. korr. Elektr.: Theorie II (1-15), Metall-Isol.- und Phasenüberg
änge (16-33), SL: Massivmat., Bandl., Pinning, Vortexdyn., Transport, Korngr. (34-43), Niedrigdim. Syst., Magnetotransport (44-63)
TT 22.11: Poster
Donnerstag, 14. März 2002, 14:00–17:30, A
LDA+DMFT investigation of the electronic properties of LiV2O4 — •Igor Nekrasov1,2, Zlata Pchelkina1,2, Thomas Pruschke1, Georg Keller1, Vladimir Anisimov2, and Dieter Vollhardt1 — 1Theoretische Physik III, Elektronische Korrelationen und Magnetismus, Universität Augsburg, 86135 Augsburg — 2Institute of Metal Physics, Ekaterinburg GSP-170, Russia
LiV2O4 has on average 1.5 d-electrons per site in the t2g subband, which is further split into A1g and Eg bands. Normally, such a system should be a valence fluctuator. However, recent experiments indicate that this compound rather behaves like a heavy Fermion system [1]. A theoretical explanation based on an LDA+U calculation was proposed by Anisimov et al. [2]. Here we present a full LDA+DMFT study of the electronic properties of LiV2O4. Due to the electronic correlations the A1g state is localized and half-filled. Its coupling to the 1/8-filled Eg band leads to a low-energy scale consistent with the observed enhanced Sommerfeld coefficient. Strong ferromagnetic correlations at high temperature may explain the neutron scattering data around T=100K [3].
[1] S. Kondo et al., Phys. Rev. Lett. 78, 3729(1997); A.V. Mahajan et al., Phys. Rev. B57, 8890(1998).
[2] V.I. Anisimov et al., Phys. Rev. Lett. 83, 364(1999).
[3] A. Krimmel et al., Phys. Rev. Lett. 82, 2919(1999).