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Many‐Electron Effects on the Characteristics of Short‐Range Order in the Pseudopotential Approximation
Author(s) -
Khwaja Farid A.,
Katsnelson A. A.,
Silonov V. M.
Publication year - 1978
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220880212
Subject(s) - pseudopotential , electron , range (aeronautics) , condensed matter physics , short range order , energy (signal processing) , physics , materials science , statistical physics , quantum mechanics , composite material
The effect of the many‐electrons interaction on the local ordering energy and the short‐range order (SRO) parameter for the solid solutions is critically studied using various prevalent forms of exchange and correlation corrections in an electron gas. An estimate about the effect of these corrections on the ordering energy and the SRO parameter is made. Detailed calculations for Al—Zn and Ni—Pt alloys are carried out to investigate the influence of these corrections on the ordering energy and SRO parameter. It is concluded that the use of the incorrect correction for exchange and correlation may bring a disaggreement between calculated and experimentally measured values of α 1 even in their signs. It is observed that the exchange and correlation correction of Vashista and Singwi yields the best agreement of the calculation with the experimental values of the SRO parameter α 1 for Al—Zn alloys.