T. Saha et al., AN AUGMENTED-SPACE RECURSIVE TECHNIQUE FOR THE CALCULATION OF ELECTRONIC-STRUCTURE OF RANDOM BINARY-ALLOYS, Journal of physics. Condensed matter, 6(17), 1994, pp. 245-251
We present here a computationally feasible and fast technique for obta
ining the electronic structure of random alloys which allows us to inc
orporate effects like clustering, short-range order and off-diagonal d
isorder arising out of size mismatch and consequent lattice distortion
s. The method combines the augmented-space technique with the recursio
n method and the tight-binding LMTO. AgPd alloys are studied to illust
rate our procedure.