Regensburg 2013 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 43: Correlated Electrons: Metal-Insulator Transition 2

TT 43.2: Vortrag

Mittwoch, 13. März 2013, 15:15–15:30, H19

Orbital and spatial correlations in LiVS₂ from a two-particle perspective — •Lewin Boehnke and Frank Lechermann — 1. Institut für Theoretische Physik, Universität Hamburg

The compound LiVS₂ shows a transition from a paramagnetic metal to a trimerized valence bond solid insulator phase [1] at 310K. Such a behaviour is already known from its neighbouring compound LiVO₂. In contrast to previous studies that concentrated on the symmetry-broken insulating phase [2], our attention is on the emergence of this low-temperature phase from the high-temperature phase. We employ the formalism outlined in [3] to calculate lattice spin- and charge-susceptibilities for this system on top of density functional theory + dynamical mean-field theory (DFT+DMFT) calculations for a detailed investigation of non-local two-particle correlations in view of the orbital ordering and trimerization effects that are observed.
[1] N. Katayama, et al., PRL 103, 146405 (2009)
H. Pen, et al., PRL 78, 1323 (1997)
L. Boehnke, et al., PRB 84, 075145 (2011)