Journal Article

PreJuSER-2328

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Doping-driven Mott transition in La_{1-x}Sr_xTiO_3 via simultaneous electron and hole doping of t2g subbands as predicted by LDA+DMFT calculations

Liebsch, A.FZJ*

2008
APS College Park, Md.

This record in other databases:  

Please use a persistent id in citations: http://hdl.handle.net/2128/11074  doi:10.1103/PhysRevB.77.115115

Abstract: The insulator to metal transition in LaTiO3 induced by La substitution via Sr is studied within multiband 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 t(2g) 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 signs. 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.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

---

Contributing Institute(s):

1. Quanten-Theorie der Materialien (IFF-1)

Research Program(s):

1. Kondensierte Materie (P54)

Appears in the scientific report 2008

---

Database coverage:
;

---