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Chemical Bonding and Lattice Relaxation in Substoichiometric Titanium Carbide and Nitride
Author(s) -
Čapková P.,
Skála L.
Publication year - 1992
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.2221710110
Subject(s) - nonmetal , vacancy defect , materials science , carbide , nitride , titanium carbide , titanium , lattice (music) , redistribution (election) , condensed matter physics , metallurgy , nanotechnology , physics , layer (electronics) , metal , politics , political science , acoustics , law
The rearrangement of interatomic interactions and redistribution ofelectron densities in titanium carbide and nitride resulting from the existence of the nonmetal vacancy are studied by the CNDO/2 method. The local lattice relaxation is taken into account and the differences and common features in the behaviour of the nonmetal vacancy in titanium carbide and nitride are discussed.