Linear response calculations of lattice dynamics in strongly correlated systems.
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. We apply the method to study the phonon dispersions of Mott insulators NiO and MnO in their paramagnetic insulating state not accessible by local density functionals. Our results are in good agreement with experiment.
Savrasov
S Y
SY
Department of Physics, New Jersey Institute of Technology, Newark 07102, USA.
Kotliar
G
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