The coherent potential approximation applied to a system with long-range potential

1986 ◽  
Vol 117 (4) ◽  
pp. 192-196
Author(s):  
Chuck Yeung
1990 ◽  
Vol 186 ◽  
Author(s):  
W. A. Shelton ◽  
D. M. Nicholson ◽  
G. M. Stocks ◽  
F. J. Pinski ◽  
D. D. Johnson ◽  
...  

AbstractIt has been established that the coherent potential approximation can successfully describe the energy of random alloys [1]. It has also served as the basis of generalized perturbation method [2] and concentration wave [3] xscalculations of the energy of short range ordered alloys. The multisublattice coherent potential, (MCPA) is the natural extension of the CPA with which to address long range order (LRO). Using the recently developed multisublattice coherent potential approximation Korringa Kohn Rostoker [4], (MCPA-KKR) code the elgenvalue sum can be calculated as a function of LRO. This allows the evaluation of the ordering energy by either of two approximations. The frozen potential approximation (FPA) [5] assumes that the muffintin single site potentials do not change as the long range order is varied; the Harris Approximation, (HA) [6], as applied in this work, assumes that the single site charge densities do not change as the long range order is changed. These two methods of calculating the ordering energy will be compared with each other and to experiment for several systems including CuZn, NiAl, and NiAl with zinc additions.


1997 ◽  
Vol 8 (3) ◽  
pp. 275-282 ◽  
Author(s):  
Thomas Wyttenbach ◽  
Gert Helden ◽  
Joseph J. Batka ◽  
Douglas Carlat ◽  
Michael T. Bowers

1998 ◽  
Vol 108 (22) ◽  
pp. 9202-9205 ◽  
Author(s):  
Akiyoshi Hishikawa ◽  
Hirokazu Sato ◽  
Kaoru Yamanouchi
Keyword(s):  

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