scholarly journals EQUATION-OF-MOTION APPROACH TO DYNAMICAL MEAN FIELD THEORY

2006 ◽  
Vol 20 (25) ◽  
pp. 1629-1636 ◽  
Author(s):  
JIAN-XIN ZHU ◽  
R. C. ALBERS ◽  
J. M. WILLS
Keyword(s):  
Field Theory ◽  
Mean Field Theory ◽  
Mean Field ◽  
Bethe Lattice ◽  
Equation Of Motion ◽  
Spectral Weight ◽  
Dynamical Mean Field Theory ◽  
Strongly Correlated ◽  
Strongly Correlated Materials ◽  
Weight Transfer

We propose using an equation-of-motion approach as an impurity solver for dynamical mean field theory. As an illustration of this technique, we consider a finite-U Hubbard model defined on the Bethe lattice with infinite connectivity at arbitrary filling. Depending on the filling, the spectra that is obtained exhibits a quasiparticle peak, and lower and upper Hubbard bands as typical features of strongly correlated materials. The results are also compared and in good agreement with exact diagonalization. We also find a different picture of the spectral weight transfer than the iterative perturbation theory.

Nature of Non-magnetic Strongly-Correlated State in Plutonium

2006 ◽  
Vol 986 ◽  
Author(s):  
Leniod Purovskii ◽  
Alexander Shick ◽  
Ladislav Havela ◽  
Mikhail Katsnelson ◽  
Alexander Lichtenstein
Keyword(s):  
Field Theory ◽  
Density Functional ◽  
Local Density ◽  
Mean Field Theory ◽  
Mean Field ◽  
Dynamical Mean Field Theory ◽  
Cubic Phase ◽  
Face Centered Cubic ◽  
Strongly Correlated ◽  
Starting Point

AbstractLocal density approximation for the electronic structure calculations has been highly successful for non-correlated systems. The LDA scheme quite often failed for strongly correlated materials containing transition metals and rare-earth elements with complicated charge, spin and orbital ordering. Dynamical mean field theory in combination with the first-principle scheme (LDA+DMFT) can be a starting point to go beyond static density functional approximation and include effects of charge, spin and orbital fluctuations. Ab-initio relativistic dynamical mean-field theory is applied to resolve the long-standing controversy between theory and experiment in the “simple” face-centered cubic phase of plutonium called δ-Pu. In agreement with experiment, neither static nor dynamical magnetic moments are predicted. In addition, the quasiparticle density of states reproduces not only the peak close to the Fermi level, which explains the large coefficient of electronic specific heat, but also main 5f features observed in photoelectron spectroscopy.

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