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Linear Response Calculations of Lattice Dynamics in Strongly Correlated Systems

S. Y. Savrasov·G. Kotliar
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Abstract

We introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional theory of electronic structure of solids. We apply the method to study the phonon dispersions of a prototype Mott insulator NiO. Our results show overall much better agreement with experiment than the corresponding local density predictions.

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S. Y. Savrasov, G. Kotliar. 2002-06-10. Linear Response Calculations of Lattice Dynamics in Strongly Correlated Systems. https://doi.org/10.1103/physrevlett.90.056401

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