Designing thin film materials - Ternary borides from first principles

Exploiting the mechanisms responsible for the exceptional properties of aluminum based nitride coatings, we apply ab initio calculations to develop a recipe for designing functional thin film materials based on ternary diborides. The combination of binary diborides, preferring different structure ty...

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Bibliographic Details
Published in:Thin solid films 2015-05, Vol.583, p.46-49
Main Authors: Euchner, H, Mayrhofer, P H
Format: Article
Language:English
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Summary:Exploiting the mechanisms responsible for the exceptional properties of aluminum based nitride coatings, we apply ab initio calculations to develop a recipe for designing functional thin film materials based on ternary diborides. The combination of binary diborides, preferring different structure types, results in supersaturated metastable ternary systems with potential for phase transformation induced effects. For the exemplary cases of M W B (with M = Al, Ti, V) we show by detailed ab initio calculations that the respective ternary solid solutions are likely to be experimentally accessible by modern depositions techniques.
ISSN:0040-6090
1879-2731
DOI:10.1016/j.tsf.2015.03.035