期刊
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
卷 143, 期 2-3, 页码 159-165出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.elspec.2004.04.006
关键词
ELNES; titanium nitride; vacancy; first-principles band calculation; nitrogen K-edge
类别
We studied the influence of nitrogen vacancies on the nitrogen K-edge energy-loss near-edge-structure (ELNES) spectra of TiNx, as seen by first-principles band structure calculations. We find that the nitrogen K-ELNES is highly sensitive to the interaction between the vacancy site and the excited atom. Changes in the ELNES are observed only when a N vacancy occurs at the second nearest neighbor site of the excited atom, a fact which can be interpreted as arising from effects exerted by the local electronic structure around the N vacancy. (c) 2004 Elsevier B.V. All rights reserved.
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