Self-consistent cluster coherent-potential approximation for the tight-binding linearized-muffin-tin-orbitals approach to random binary alloys

1993 ◽  
Vol 48 (12) ◽  
pp. 8567-8571 ◽  
Author(s):  
Abhijit Datta ◽  
Prabhat Kumar Thakur ◽  
Abhijit Mookerjee
Keyword(s):  
Binary Alloys ◽  
Tight Binding ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
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.

AN AUGMENTED SPACE-BASED CLUSTER COHERENT POTENTIAL APPROXIMATION: APPLICATION TO CuAu AND NiAl ALLOYS

2011 ◽  
Vol 25 (05) ◽  
pp. 735-745
Author(s):  
MOSHIOUR RAHAMAN ◽  
ABHIJIT MOOKERJEE
Keyword(s):  
Magnetic Properties ◽  
Tight Binding ◽  
Local Environment ◽  
Coherent Potential Approximation ◽  
Orbital Method ◽  
Potential Approximation ◽  
Augmented Space ◽  
Space Formalism ◽  
Random Alloys ◽  
Linear Muffin Tin Orbital

We use cluster generalization of the coherent potential approximation in the tight-binding linear muffin-tin orbital method to account for the effect of the local environment on electronic and magnetic properties of substitutional random alloys. This theory combines the augmented space formalism and conventional tight-binding linear muffin-tin orbital methods. In particular, we shall apply the technique to the bcc-based NiAl and fcc-based CuAu alloys and also compare with other approaches.

Tight-binding coherent-potential approximation including off-diagonal disorder

1989 ◽  
Vol 40 (18) ◽  
pp. 12196-12200 ◽  
Author(s):  
D. A. Papaconstantopoulos ◽  
A. Gonis ◽  
P. M. Laufer
Keyword(s):  
Tight Binding ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Diagonal Disorder

A Tight-Binding Hamiltonian for the High-Temperature Superconductor YBa2Cu3O7

1988 ◽  
Vol 141 ◽  
Author(s):  
M.J. DeWeert ◽  
D.A. Papaconstantopoulos ◽  
W.E. Pickett
Keyword(s):  
Electronic Structure ◽  
High Temperature ◽  
Band Structure ◽  
Potential Application ◽  
Oxygen Vacancies ◽  
High Temperature Superconductor ◽  
Tight Binding ◽  
Coherent Potential Approximation ◽  
Potential Approximation

AbstractWe present a highly accurate tight-binding parametrization of the LAPW band structure of the high-temperature superconductor YBa2Cu3O7, discuss the methodology used in obtaining this fit, and its potential application to a Tight-Binding Coherent-Potential Approximation (TB-CPA) calculation of the effects of oxygen vacancies on the electronic structure.

Sign in / Sign up

Export Citation Format

Share Document