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Order Parameter Functional Method in the Theory of Atomic Ordering
Author(s) -
Gusev A. I.,
Rempel A. A.
Publication year - 1985
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.2221310103
Subject(s) - niobium , niobium carbide , density functional theory , order (exchange) , cluster (spacecraft) , materials science , phase (matter) , type (biology) , statistical physics , algorithm , computer science , computational chemistry , physics , chemistry , quantum mechanics , geology , paleontology , finance , economics , metallurgy , programming language
An order parameter functional method is proposed which permits the description of structural order‐disorder‐type phase transitions and combines features of the cluster variation method and static concentration waves method. The method proposed is employed to describe the atomic ordering in a nonstoichiometric niobium carbide.