Počet záznamů: 1
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
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SYSNO ASEP 0541010 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study Tvůrce(i) Koutná, N. (AT)
Hahn, R. (AT)
Zálešák, J. (AT)
Friák, Martin (UFM-A) RID, ORCID
Bartosik, M. (AT)
Keckes, J. (AT)
Šob, Mojmír (UFM-A) RID, ORCID
Mayrhofer, P. H. (AT)
Holec, D. (AT)Celkový počet autorů 9 Číslo článku 108211 Zdroj.dok. Materials and Design. - : Elsevier - ISSN 0264-1275
Roč. 186, JAN (2020)Poč.str. 11 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova tribological properties ; mechanical-properties ; al-n ; coatings ; elasticity ; stability ; toughness ; alloys ; growth ; Superlattices ; Vacancies ; Ab initio ; Metastable phases ; xrd ; edx Vědní obor RIV BM - Fyzika pevných látek a magnetismus Obor OECD Condensed matter physics (including formerly solid state physics, supercond.) CEP 8J18AT008 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy LM2015069 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Způsob publikování Open access Institucionální podpora UFM-A - RVO:68081723 UT WOS 000505221700076 EID SCOPUS 85075562973 DOI 10.1016/j.matdes.2019.108211 Anotace 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/). Pracoviště Ústav fyziky materiálu Kontakt Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Rok sběru 2021 Elektronická adresa https://www.sciencedirect.com/science/article/pii/S0264127519306495?via%3Dihub
Počet záznamů: 1