Orbital-based charge self-consistent Blackman-Esterling-Berk coherent potential approximation approach to substitutional disorder within a pseudopotential framework

2017 ◽  
Vol 96 (20) ◽  
Author(s):  
Alexander Herbig ◽  
Rolf Heid ◽  
Robert Eder
Keyword(s):  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Approximation Approach ◽  
Self Consistent

THE SELF CONSISTENT COHERENT POTENTIAL APPROXIMATION TO THE HUBBARD MODEL

1990 ◽  
Vol 04 (08) ◽  
pp. 549-560 ◽  
Author(s):  
MASSIMO CORRIAS
Keyword(s):  
Hubbard Model ◽  
Interaction Strength ◽  
Exact Formula ◽  
Coherent Potential Approximation ◽  
The Self ◽  
Potential Approximation ◽  
Double Occupancy ◽  
Occupancy Probability ◽  
Self Consistent

We introduce, by an exact formula for the double occupancy probability δ in the Hubbard model, a self consistent version of the CPA which is aimed at taking into better account correlations of the electrons motion. We show that CPA breaks down at large values of the interaction strength, and we suggest a way of overcoming this limitation along the lines of the model proposed here.

Electronic Structure of bcc Cr-Ru Alloys in the Region of Coexisting Antiferromagnetism and Superconductivity

1988 ◽  
Vol 141 ◽  
Author(s):  
D. D. Johnson ◽  
W. E. Pickett
Keyword(s):  
Electronic Structure ◽  
Fermi Surface ◽  
Coherent Potential Approximation ◽  
The Self ◽  
Potential Approximation ◽  
Self Consistent

AbstractThe self-consistent Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method is applied to determine the changes in the Cr electronic structure due to addition of up to 30% Ru. The results provide an interpretation of the coexisting antiferromagnetism and superconductivity in terms of specific pieces of Fermi surface. The strong nesting which occurs for the Cr Fermi surface survives the addition of at least 20% Ru, in agreement with the observed persistence of antiferromagnetism into this region.

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