Chemical Bonding and Lattice Relaxation in Substoichiometric Titanium Carbide and Nitride | Zendy

Čapková P. | Zendy; Skála L. | Zendy

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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.

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