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.

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.

Fast method for calculating the self-consistent electronic structure of random alloys

1984 ◽  
Vol 30 (10) ◽  
pp. 5508-5515 ◽  
Author(s):  
D. D. Johnson ◽  
F. J. Pinski ◽  
G. M. Stocks
Keyword(s):  
Electronic Structure ◽  
The Self ◽  
Fast Method ◽  
Self Consistent ◽  
Random Alloys

Electronic Structure and Magnetic Properties of Iron Doped TiO2 (Rutile): XPS Measurements and CPA Calculations

2014 ◽  
Vol 215 ◽  
pp. 28-34 ◽  
Author(s):  
Michael A. Korotin ◽  
Nikolay A. Skorikov ◽  
Ernst Z. Kurmaev ◽  
Dmitry A. Zatsepin ◽  
Seif O. Cholakh
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
Valence Band ◽  
Coherent Potential Approximation ◽  
Photoelectron Spectra ◽  
Cation Substitution ◽  
Spectral Features ◽  
Potential Approximation ◽  
X Ray

X-ray photoelectron spectra of TiO2:Fe are measured. Electronic structure and magnetic properties of rutile doped by iron are calculated in frames of the coherent potential approximation. The main experimental spectral features of TiO2:Fe such as heterovalent cation substitution (Fe3+→Ti4+), decreasing of the band gap value and appearance of additional features at the bottom and top of X-ray photoelectron spectra of valence band in comparison with those for undoped TiO2 are described.

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