Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F20%3A00541010" target="_blank" >RIV/68081723:_____/20:00541010 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14310/20:00115282
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0264127519306495?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0264127519306495?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.matdes.2019.108211" target="_blank" >10.1016/j.matdes.2019.108211</a>
Alternative languages
Result language
angličtina
Original language name
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
Original language description
Superlattice architecture represents an effective strategy to improve performance of hard protective coatings. Our model system, MoN/TaN, combines materials well-known for their high ductility as well as a strong driving force for vacancies. In this work, we reveal and interpret peculiar structure-stability-elasticity relations for MoN/TaN combining modelling and experimental approaches. Chemistry of the most stable structural variants depending on various deposition conditions is predicted by Density Functional Theory calculations using the concept of chemical potential. Importantly, no stability region exists for the defect-free superlattice. The X-ray Diffraction and Energy-dispersive X-ray Spectroscopy experiments show that MoN/TaN superlattices consist of distorted fcc building blocks and contain non-metallic vacancies in MoN layers, which perfectly agrees with our theoretical model for these particular deposition conditions. The vibrational spectra analysis together with the close overlap between the experimental indentation modulus and the calculated Young's modulus points towards MoN0.5/TaN as the most likely chemistry of our coatings. (c) 2019 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Materials and Design
ISSN
0264-1275
e-ISSN
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Volume of the periodical
186
Issue of the periodical within the volume
JAN
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
108211
UT code for WoS article
000505221700076
EID of the result in the Scopus database
2-s2.0-85075562973