Physics – Condensed Matter – Disordered Systems and Neural Networks
Scientific paper
2006-07-28
Physics
Condensed Matter
Disordered Systems and Neural Networks
11 pages 11 figures
Scientific paper
10.1103/PhysRevB.74.144204
In this work we have combined the generalized augmented space method introduced by one of us with the recursion method of Haydock et al (GASR), within the framework of the local density functional based linear muffin-tin orbitals basis (TB-LMTO). Using this we have studied the effect of short-range ordering and clustering on the density of states, optical conductivity and reflectivity of 50-50 CuZn alloys. Our results are in good agreement with alternative techniques. We argue that the TB-LMTO-GASR is a feasible, efficient and quantitatively accurate computational technique for the study of environmental effects in disordered binary alloys.
Chakrabarti Atisdipankar
Mookerjee Abhijit
Saha Kamal Krishna
Tarafder Kartick
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