Gabriel Kotliar, Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory

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Gabriel Kotliar, Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory

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Gabriel Kotliar, Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory

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Gabriel Kotliar, Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory

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Many 5d TMOs are metallic. However, there are also some insulating 5d TMOs : (eg) Sr2IrO4, Sr3Ir2O7, BaIrO3, Y2Ir2O7, Eu2Ir2O7, Cd2Os2O7, Ba2NaOsO6 …

3d

4d

5d

(S=1/2) Mott system

U (eV) W (eV)

3d TMOs 4 - 5 1 - 2

4d TMOs 3 - 4 2 - 3

5d TMOs 1 - 2 3 - 4

Bad metal

Systematic variations of 3d, 4d and 5d transition metal oxides (TMOs)

Oxygen

Transition metal oxideIn perovskite structure

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P. A. Cox, Transition Metal Oxides

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P. A. Cox, Transition Metal Oxides

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P. A. Cox, Transition Metal Oxides

Schematic representations of the models for strongly correlated electron systems. Left column: Top: Spatial description for the periodic Anderson model, where the hybridization is symboli-cally shown by thick gray bars. The description for the single-impurity Anderson model, in which only one strongly correlated site hybridized with the itinerant valence bands is considered, is shown in a rectangle. Middle: Spatial Representation for the d-p model, where the single-site cluster model is surrounded by a circle and multi-site cluster model is surrounded by an oval. Bottom: Spatial description for the Hubbard model. Right column: Top: Energy diagrams for the periodic Anderson model. Single-impurity Anderson model is surrounded by a rectangle. Middle: Case for a single-site cluster model. The dashed lines show the correspondence of the ligand levels in the cluster model to the representa-tive discrete levels extracted from the itinerant contin-uum bands in the single-impurity Anderson model, where both are hybridized with the strongly correlated states.In the right panels showing the energy diagrams, the filled (empty) circles denote the occupied electrons (holes) and the lines between the filled and empty cir-cles represent a charge transfer.