Dependence of characteristics of MSiBCN (M = Ti, Zr, Hf) on the choice of metal element: experimental and ab-initio study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F16%3A43929164" target="_blank" >RIV/49777513:23520/16:43929164 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.tsf.2016.08.066" target="_blank" >http://dx.doi.org/10.1016/j.tsf.2016.08.066</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.tsf.2016.08.066" target="_blank" >10.1016/j.tsf.2016.08.066</a>
Alternative languages
Result language
angličtina
Original language name
Dependence of characteristics of MSiBCN (M = Ti, Zr, Hf) on the choice of metal element: experimental and ab-initio study
Original language description
The paper deals with MSiBCN (M = Ti, Zr, Hf) thin films prepared by pulsed dc reactive magnetron sputtering of M15Si20(B4C)65 targets. We focus on the effect of M choice and N2+Ar discharge gas mixture composition. The experimental results are complemented and explained by ab-initio calculations. We find that the transition from Ti through Zr to Hf leads to (i) increasing driving force towards segregation, (ii) weaker role of M around the Fermi level and opening of a wider band gap in N-rich compositions, (iii) higher electrical resistivity and lower extinction coefficient in N-rich compositions, (iv) increasing energy resulting from the oxidation of constituent M-containing phases, and consequently decreasing oxidation resistance of N-poor compositions and (v) increasing oxidation resistance of N-rich compositions. The results are important for the design of future coatings with tailored combinations of mechanical, electrical and optical properties and oxidation resistance.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
JI - Composite materials
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GJ15-00859Y" target="_blank" >GJ15-00859Y: Design of new functional materials, and pathways for their atom-by-atom preparation, using advanced computer modelling</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Thin Solid Films
ISSN
0040-6090
e-ISSN
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Volume of the periodical
616
Issue of the periodical within the volume
1 October 2016
Country of publishing house
CH - SWITZERLAND
Number of pages
7
Pages from-to
359-365
UT code for WoS article
000389388600052
EID of the result in the Scopus database
2-s2.0-84985997683