Dresden 2014 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 86: Correlated Electrons: Other Materials

TT 86.1: Talk

Thursday, April 3, 2014, 09:30–09:45, BEY 81

Metal-insulator transition in LiVS₂ through correlation-induced orbital-spin ordering — Lewin Boehnke, Alexander I. Lichtenstein, and •Frank Lechermann — I. Institute for Theoretical Physics, University of Hamburg

The investigation of nature’s various mechanisms to localize electrons within a material that undergoes a metal-insulator transition (MIT) is a salient research endeavour in condensed matter physics. Prominent localization driving forces in the chemically ordered states are either dominant exchange processes, giving rise to a Slater insulator, or strong correlations, leading to an insulator of Mott type. However in complex compounds with manifest multi-orbital character and apparent geometrical frustration the many-body physics underlying the competition between metallic and insulating state may even be more intricate. Here the advanced combination of density functional theory with dynamical mean-field theory including multi-orbital vertex contributions to determine (dynamic) lattice susceptibilities in the strong correlation regime is used to study the nebulous MIT in quasi-twodimensional LiVS₂. Entangled orbital-spin ordering tendencies originating in the high-temperature metallic phase are revealed. Those lead to a transition into a challenging insulating phase close to room temperature.