Band structure of titanium carbide containing nitrogen and oxygen impurities
- 1 January 1986
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine Part B
- Vol. 53 (1) , 69-75
- https://doi.org/10.1080/13642818608238972
Abstract
Using the Green's function method the band structure of titanium carbide containing isolated nitrogen and oxygen impurity atoms has been calculated in the ASA-KKR approximation. The dependence of the local electronic distributions of impurity centres on the nature of the latter and on the band structure of the matrix is discussed. The results are compared with X-ray emission spectra of titanium carbonitrides and oxycarbides.Keywords
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