We propose a cellular version of dynamical mean field theory which gives a natural generalization of its original single-site construction and is formulated in different sets of …
A Bansil, S Kaprzyk, PE Mijnarends, J Toboła - Physical Review B, 1999 - APS
We present first-principles charge-and spin-self-consistent electronic structure computations on the Heusler-type disordered alloys Fe 3− x V x X for three different metalloids X=(Si, Ga …
F Ducastelle, F Gautier - Journal of Physics F: Metal Physics, 1976 - iopscience.iop.org
Ordering effects in disordered alloys are studied by means of a generalized perturbation method. The unperturbed state is taken to be the completely disordered state treated in the …
Much progress has been achieved during the last two decades in the theoretical understanding of dynamical properties of solids, especially of disordered and anharmonic …
S Kaprzyk, A Bansil - Physical Review B, 1990 - APS
Abstract We consider the Korringa-Kohn-Rostoker coherent-potential-approximation Green's function for a disordered system of muffin-tin potentials and evaluate its integral over the …
T Oguchi, K Terakura, AR Williams - Physical Review B, 1983 - APS
The interatomic coupling of magnetic moments in the insulating antiferromagnetic transition- metal compounds MnO, MnS, and NiO is calculated using a theory based on the itinerant …
R Mills, P Ratanavararaksa - Physical Review B, 1978 - APS
It is shown that the terms in the cumulant expansion of the coherent potential for an uncorrelated substitutional alloy can be combined by partial summation in such a way that …
We develop, clarify, and test various aspects of cluster dynamical mean field methods using a soluble toy model as a benchmark. We find that the cellular dynamical mean field theory …
Abstract We introduce the Korringa-Kohn-Rostocker nonlocal coherent-potential approximation (KKR-NLCPA) for describing the electronic structure of disordered systems …