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Elastic and Electronic Properties of Point Defects in Titanium Carbide
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 Title & Authors
Elastic and Electronic Properties of Point Defects in Titanium Carbide
Kang, Dae-Bok;
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 Abstract
A theoretical study of the electronic structures of and (x = 0, 0.25) is presented. The density of states and crystal orbital overlap population calculations were used to interpret variations of elastic properties induced by carbon vacancies and alloying substitutions. Our results show why the introduction of vacancies into TiC reduces bulk moduli, while W substitution at a Ti site increases the elastic modulus. The effect of the point defects on the bonding in TiC is investigated by means of extended Huckel tight-binding band calculations.
 Keywords
Electronic structure;Titanium carbide;Defects;
 Language
English
 Cited by
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