Augmented-space cluster coherent potential approximation for binary random and short-range ordered alloys

2009 ◽  
Vol 79 (5) ◽  
Author(s):  
Moshiour Rahaman ◽  
Abhijit Mookerjee
Keyword(s):  
Short Range ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Ordered Alloys ◽  
Augmented Space

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.

Short-range ordering effects on the electronic Bloch spectral function of real materials in the nonlocal coherent-potential approximation

2016 ◽  
Vol 94 (22) ◽  
Author(s):  
Alberto Marmodoro ◽  
Arthur Ernst ◽  
Sergei Ostanin ◽  
Leonid Sandratskii ◽  
Paolo E. Trevisanutto ◽  
...  
Keyword(s):  
Spectral Function ◽  
Short Range ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Ordering Effects ◽  
Short Range Ordering
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