Dependence of characteristics of MSiBCN (M = Ti, Zr, Hf) on the choice of metal element: experimental and ab-initio study

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Dependence of characteristics of MSiBCN (M = Ti, Zr, Hf) on the choice of metal element: experimental and ab-initio study

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Dependence of characteristics of MSiBCN (M = Ti, Zr, Hf) on the choice of metal element: experimental and ab-initio study

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

JI - Kompositní materiály

OECD FORD obor

—

Projekt

<a href="/cs/project/GJ15-00859Y" target="_blank" >GJ15-00859Y: Design nových funkčních materiálů, a cest pro jejich přípravu atom po atomu, pomocí pokročilého počítačového modelování</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Thin Solid Films

ISSN

0040-6090

e-ISSN

—

Svazek periodika

616

Číslo periodika v rámci svazku

1 October 2016

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

7

Strana od-do

359-365

Kód UT WoS článku

000389388600052

EID výsledku v databázi Scopus

2-s2.0-84985997683