Coupled spin-orbital correlations and the Mott transition in V2O3 and VO2.
Orbital Selective Mott transitions?


Mukul Laad

Department of Physics, Loughborough University, Sir D. Davies Building, LE11 3TU, Loughborough, UK


Using the ab-initio LDA+DMFT technique, we study the first-order Mott transitions (PI-PM) in two early transition-metal (Vanadium) oxides. In a very new picture of this transition, we show how an effective two-fluid scenario can be selfconsistently derived. Various puzzling aspects of the physical properties are understood quantitatively. In particular,

(i) excellent agreement with photo-emission and X-ray absorption spectra is demonstrated in the PM phase of both vanadates,

(ii) the spin state and the switch of orbital occupation across the MIT in V2O3 is correctly reproduced, and,

(iii) the carrier effective mass is derived to be in close agreement with that estimated from thermodynamic measurements