THE MOTT TRANSITION AND F ELECTRON PHYSICS

2003 ◽  
Vol 17 (28) ◽  
pp. 5101-5109 ◽  
Author(s):  
GABRIEL KOTLIAR ◽  
SERGEJ Y. SAVRASOV
Keyword(s):  
Field Theory ◽  
Spectral Density ◽  
Density Functional ◽  
Mean Field Theory ◽  
Mean Field ◽  
Mott Transition ◽  
Functional Approach ◽  
Dynamical Mean Field Theory ◽  
Quantitative Results ◽  
Actinide Series

We revisit the issue of the Mott transition across the actinide series from the perspective of the spectral density functional approach to realistic dynamical mean-field theory. We stress both qualitative insights from the connection with models and quantitative results.

scholarly journals Two-particle Fermi liquid parameters at the Mott transition: Vertex divergences, Landau parameters, and incoherent response in dynamical mean-field theory

2019 ◽  
Vol 99 (24) ◽  
Author(s):  
Friedrich Krien ◽  
Erik G. C. P. van Loon ◽  
Mikhail I. Katsnelson ◽  
Alexander I. Lichtenstein ◽  
Massimo Capone
Keyword(s):  
Field Theory ◽  
Fermi Liquid ◽  
Mean Field Theory ◽  
Mean Field ◽  
Mott Transition ◽  
Dynamical Mean Field 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.

scholarly journals ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

2020 ◽  
Vol 16 (8) ◽  
pp. 4899-4911
Author(s):  
Edward B. Linscott ◽  
Daniel J. Cole ◽  
Nicholas D. M. Hine ◽  
Michael C. Payne ◽  
Cédric Weber
Keyword(s):  
Field Theory ◽  
Density Functional Theory ◽  
Density Functional ◽  
Mean Field Theory ◽  
Mean Field ◽  
Dynamical Mean Field Theory ◽  
Linear Scaling ◽  
Functional Theory
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