Effect of N and Zr content on structure, electronic structure and properties of ZrBCN materials: An 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%2F13%3A43918900" target="_blank" >RIV/49777513:23520/13:43918900 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.tsf.2013.07.010" target="_blank" >http://dx.doi.org/10.1016/j.tsf.2013.07.010</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.tsf.2013.07.010" target="_blank" >10.1016/j.tsf.2013.07.010</a>
Alternative languages
Result language
angličtina
Original language name
Effect of N and Zr content on structure, electronic structure and properties of ZrBCN materials: An ab-initio study
Original language description
Atomic structure, electronic structure and properties of ZrBCN materials were studied using ab-initio calculations. We focus on the effect of N and Zr content and compare our results with the characteristics of samples prepared by reactive magnetron sputtering. We find that the materials are characterized by a mixture of covalent and metallic bonding. The metallic-to-covalent ratio is primarily controlled by the N content, and well correlated with measured electrical resistivity. Zr-N bonds have the highest preference to form out of all bonds in the ZrBCN system. Hard nanostructure forms at high Zr and low N content, containing (i) pure ZrN and (ii) (theoretically predicted and experimentally observed) solid solution close to ZrB0.50N0.50. The resultsallow one to tailor ZrBCN compositions which can combine different functional properties, such as high thermal stability, high hardness and electrical conductivity.
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
BL - Plasma physics and discharge through gases
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED1.1.00%2F02.0090" target="_blank" >ED1.1.00/02.0090: NTIS - New Technologies for Information Society</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2013
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
542
Issue of the periodical within the volume
Neuveden
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
225-231
UT code for WoS article
000323859400038
EID of the result in the Scopus database
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