Doping-driven Mott transition inLa1−xSrxTiO3via simultaneous electron and hole doping oft2gsubbands as predicted byLDA+DMFTcalculations

A. Liebsch
2008 Physical Review B  
The insulator to metal transition in LaTiO_3 induced by La substitution via Sr is studied within multi-band exact diagonalization dynamical mean field theory at finite temperatures. It is shown that weak hole doping triggers a large interorbital charge transfer, with simultaneous electron and hole doping of t2g subbands. The transition is first-order and exhibits phase separation between insulator and metal. In the metallic phase, subband compressibilities become very large and have opposite
more » ... ns. Electron doping gives rise to an interorbital charge flow in the same direction as hole doping. These results can be understood in terms of a strong orbital depolarization.
doi:10.1103/physrevb.77.115115 fatcat:vwo4x2jw3jgcreyv5k3mddwxgi