Related papers: Dynamical CPA and Tight-Binding LMTO Approach to C…
Magnetic properties of Fe, Co, and Ni at finite temperatures have been investigated on the basis of the first-principles dynamical CPA (Coherent Potential Approximation) combined with the LDA (Local Density Approximation) + $U$ Hamiltonian…
We present here the first-principles dynamical CPA (coherent potential approximation) combined with the tight-binding LMTO LDA+U method towards quantitative calculations of the electronic structure and magnetism at finite temperatures in…
Magnetic and electronic properties of the Hubbard model on the Bethe and fcc lattices in infinite dimensions have been investigated numerically on the basis of the dynamical coherent potential approximation (CPA) theory combined with the…
First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…
The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolution of electronic structure and spin magnetic moment value…
Using spin-1/2 description of valence holes and Kondo coupling between local spins and carriers, GaAs-based III-V diluted magnetic semiconductors (DMS)are studied in the coherent potential approximation(CPA). Our calculated relation of…
The influence of dynamical correlation effects on the magneto-optical properties of ferromagnetic Fe and Ni has been investigated. In addition the temperature dependence of the self-energy and its influence on the DOS and optical…
The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…
The problem of motion of a single electron interacting with a periodic lattice of two-level systems is investigated within a spinless fermion model. The Green's function is calculated in a single-site dynamical coherent potential…
Previously a many-body coherent potential approximation (CPA) was used to study the double exchange (DE) model with quantum local spins S, both for S=1/2 and for general S in the paramagnetic state. This approximation, exact in the atomic…
We present a theory based on Green's function formalism to study magnetism in disordered Heisenberg systems with long range exchange integrals. Disordered Green's function are decoupled within Tyablicov scheme and solved with a CPA method.…
The zinc-blende GaAs-based III-V diluted magnetic semiconductors (DMS)are studied in the coherent potential approximation(CPA). In this work, we use the exact Hilbert transformation of the face-centered cubic(fcc) density of states (DOS),…
The formation of Correlated Electron Pairs Oscillating around the Fermi level in Resonant Quantum States (CEPO-RQS), when a metal is cooled to its critical temperature T=Tc, is studied. The necessary conditions for the existence of CEPO-RQS…
We study a fermionic version of the Sherrington-Kirkpatrick model including nearest-neighbor hopping on a $\infty$-dimensional simple cubic lattices. The problem is reduced to one of free fermions moving in a dynamical effective random…
We develop a formulation of the coherent potential approximation (CPA) on the basis of the Wannier representation to develop a computationally efficient method for the treatment of homogeneous random alloys that is independent on the…
We will analyze the itinerant model for ferromagnetism with both single-site and two-site electron correlations. We will include band degeneration into the model. This will allow us to consider the on-site exchange interactions in the…
The random phase approximation (RPA) and the $GW$ approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by a local Kohn-Sham (KS) potential. In this work, we perform…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…
A Coherent Potential Approximation is developed for s-wave and d-wave superconductivity in disordered systems. We show that the CPA formalism reproduces the standard pair-breaking formula, the self-consistent Born Approximation and the…