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Third‐Order Contribution to the Effective Ion–Ion Interaction and Formation of Angular Forces in Crystalline Solids. II. Application to Tetrahedral Solids
Author(s) -
Milchev A.,
Unger K.
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.2220870208
Subject(s) - tetrahedron , ion , interpolation (computer graphics) , third order , order (exchange) , simple (philosophy) , physics , atomic physics , materials science , classical mechanics , chemistry , crystallography , motion (physics) , quantum mechanics , philosophy , theology , finance , epistemology , economics
A third‐order correction to the structure dependent part of the total energy derived in Part I is used to demonstrate the building‐up of angular forces in tetrahedral solids and simple interpolation expressions are proposed, which reproduce the numerical data.