The electronic structure of grain boundaries in metals and alloys
We study the electronic structure of Ni with Σ5 (2 1 0) and TiNi with Σ5 (3 1 0) tilt grain boundaries using the full-potential linearized augmented plane wave (FLAPW) method. The calculated electron energy loss spectra, as well as X-ray absorption and emission spectra in nickel and its alloy are an...
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Published in | Computational materials science Vol. 36; no. 1; pp. 244 - 248 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Elsevier B.V
01.05.2006
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Subjects | |
Online Access | Get full text |
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Summary: | We study the electronic structure of Ni with Σ5 (2
1
0) and TiNi with Σ5 (3
1
0) tilt grain boundaries using the full-potential linearized augmented plane wave (FLAPW) method. The calculated electron energy loss spectra, as well as X-ray absorption and emission spectra in nickel and its alloy are analyzed in dependence on composition and structure. |
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Bibliography: | SourceType-Scholarly Journals-2 ObjectType-Feature-2 ObjectType-Conference Paper-1 content type line 23 SourceType-Conference Papers & Proceedings-1 ObjectType-Article-3 |
ISSN: | 0927-0256 1879-0801 |
DOI: | 10.1016/j.commatsci.2004.11.018 |