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Symmetry and analytical expressions of matrix components in the tight‐binding method
Author(s) -
Kuznetsov V. N.,
Men A. N.
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.2220850109
Subject(s) - symmetry (geometry) , simple (philosophy) , diamond , tight binding , point group , lattice (music) , matrix (chemical analysis) , matrix method , point (geometry) , physics , condensed matter physics , mathematics , materials science , combinatorics , geometry , optics , electronic structure , philosophy , epistemology , acoustics , composite material
The method of summing over lattice sites in the tight‐binding method which systematically deals with the point symmetry of crystals is taken into consideration. General expressions of matrix components via independent parameters by summing over an arbitrary number of neighbours in arbitrary crystals are deduced. Group‐theoretical calculations are done and simple formulas are obtained for cubic crystals. As an example, the structures of NaCl, zincblende, diamond, and CaF 2 are considered.