scholarly journals Optical and dc-transport properties of a strongly correlated charge-density-wave system: Exact solution in the ordered phase of the spinless Falicov-Kimball model with dynamical mean-field theory

2008 ◽  
Vol 77 (3) ◽  
Author(s):  
O. P. Matveev ◽  
A. M. Shvaika ◽  
J. K. Freericks
1998 ◽  
Vol 12 (20) ◽  
pp. 2031-2044 ◽  
Author(s):  
Shi-Dong Liang ◽  
Qianghua Wang ◽  
Z. D. Wang ◽  
Shun-Qing Shen

We address the low temperature properties of quasi-one-dimensional organic polymers, which may be described by a modified Anderson lattice-Su–Schrieffer–Heeger Hamiltonian. The condition and nature of various orders, such as, the ferromagnetic order, the dimerization order, the charge density wave order and the spin density wave order, are analyzed by a self-consistent mean field theory. Analytical results are obtained for a specific case. The topological structure of the chain leads to a flatband structure of the energy band, which gives rise to a ferromagnetic order in the case of half filling at low temperatures. The on-site Coulomb repulsion enhances the ferromagnetic order, while the nearest-neighbor interaction (V) suppresses both the ferromagnetic order and the dimerization, and leads to the charge density wave. The π–d hybridization (td) suppresses the dimerization, and does not affect the magnetization. The ferromagnetic order and dimerization order coexist for weak td.


2006 ◽  
Vol 986 ◽  
Author(s):  
Leniod Purovskii ◽  
Alexander Shick ◽  
Ladislav Havela ◽  
Mikhail Katsnelson ◽  
Alexander Lichtenstein

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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