scholarly journals Electronic structure of random binary alloys: An augmented space formulation in reciprocal space

2005 ◽  
Vol 71 (9) ◽  
Author(s):  
Kamal Krishna Saha ◽  
Abhijit Mookerjee ◽  
Ove Jepsen
Keyword(s):  
Electronic Structure ◽  
Binary Alloys ◽  
Reciprocal Space ◽  
Augmented Space ◽  
Space Formulation

TB-LMTO-AUGMENTED SPACE RECURSION FOR RANDOM BINARY ALLOYS: A TRACTABLE REPRESENTATION

1999 ◽  
Vol 13 (21) ◽  
pp. 723-733 ◽  
Author(s):  
SUBHRADIP GHOSH ◽  
NITYANANDA DAS ◽  
ABHIJIT MOOKERJEE
Keyword(s):  
Electronic Structure ◽  
Binary Alloys ◽  
Tight Binding ◽  
Size Mismatch ◽  
Local Lattice ◽  
Augmented Space ◽  
Lattice Distortions ◽  
One To One ◽  
Basic Equations ◽  
Random Alloys

We had earlier presented a computationally feasible and fast technique for obtaining the electronic structure of random alloys which allowed us to incorporate short-ranged order and effects like clustering and local lattice distortions due to size mismatch effects. The technique combined the augmented space recursion with the tight-binding LMTO. We have recast the formalism in a way that allows us to sample many more configurations states and bring the basic equations in a one-to-one correspondence with the screed KKR formalism.

Electronic structure of disordered binary alloys

1973 ◽  
Vol 3 (5) ◽  
pp. 944-958 ◽  
Author(s):  
R S Tripathi ◽  
M P Das ◽  
S K Joshi
Keyword(s):  
Electronic Structure ◽  
Binary Alloys

Short-range order and its effect on the electronic structure of binary alloys: CuZn — a case study

Pramana ◽  
2008 ◽  
Vol 70 (2) ◽  
pp. 221-235 ◽  
Author(s):  
Abhijit Mookerjee ◽  
Kartick Tarafder ◽  
Atisdipankar Chakrabarti ◽  
Kamal Krishna Saha
Keyword(s):  
Electronic Structure ◽  
Short Range ◽  
Short Range Order ◽  
Binary Alloys ◽  
Range Order

Local properties in the electronic structure of disordered binary alloys

1991 ◽  
Vol 43 (8) ◽  
pp. 6474-6479 ◽  
Author(s):  
S. Weinketz ◽  
B. Laks ◽  
G. G. Cabrera
Keyword(s):  
Electronic Structure ◽  
Binary Alloys ◽  
Local Properties
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