Strongly Correlated Fermi Systems

0096462

Kotliar

This award supports theoretical and computational research and education centered on strongly correlated electron materials with the aim of working toward realistic calculations based on dynamical mean field theory. Dynamical mean field theory methods will be further developed. Planned advances include: the incorporation of material specific realistic orbital and crystal structure, and developing extensions of the theory to include short-ranged correlations. Experimental work on V2O3, NiSe2-xSex mixtures, cerium- and ytterbium-based heavy fermion materials, and strongly correlated organic compounds provides motivation for this theoretical investigation.

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This award supports theoretical and computational research and education centered on materials where strong electronic correlations play an important role. The proposed work would develop new many-body techniques and computational algorithms to extend and overcome some of the limitations of the dynamical mean field theory. The dynamical mean field theory has enjoyed success in capturing essential features of the Mott transition which is driven by strong electronic correlations. The proposed work would focus on more accurate and realistic descriptions of materials including V2O3, NiSe2-xSex mixtures, cerium- and ytterbium-based heavy fermion materials, and strongly correlated organic compounds.

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