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Phase stability tuning in the NbxZr1−xN thin-film system for large stacking fault density and enhanced mechanical strength
Department of Physics and Measurement Technology, IFM, Linköping University.
Department of Physics and Measurement Technology, IFM, Linköping University.
Department of Physics, Uppsala University.ORCID iD: 0000-0001-8748-3890
CEIT (Centro de Estudios e Investigaciones Técnicas de Gipuzkoa) , San Sebastian, Spain.
2005 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 86, no 13, article id 131922Article in journal (Refereed) Published
Abstract [en]

The phase stability of hexagonal WC-structure and cubic NaCl-structure 4𝑑4d transition metal nitrides was calculated using first-principles density functional theory. It is predicted that there is a multiphase or polytypic region for the 4𝑑4d transition metal nitrides with a valence electron concentration around 9.5 to 9.7 per formula unit. For verification, epitaxial Nb𝑥Zr1−𝑥NNbxZr1−xN (0⩽𝑥⩽1)(0⩽x⩽1) was grown by reactive magnetron sputter deposition on MgO(001) substrates and analyzed with transmission electron microscopy (TEM) and x-ray diffraction. The defects observed in the films were threading dislocations due to nucleation and growth on the lattice-mismatched substrate and planar defects (stacking faults) parallel to the substrate surface. The highest defect density was found at the 𝑥=0.5x=0.5 composition. The nanoindentation hardness of the films varied between 21GPa21GPa for the binary nitrides, and 26GPa26GPa for Nb0.5Zr0.5NNb0.5Zr0.5N. Unlike the cubic binary nitrides, no slip on the preferred ⟨11¯0⟩{110}⟨11¯0⟩{110} slip system was observed. The increase in hardness is attributed to the increase in defect density at 𝑥=0.5x=0.5, as the defects act as obstacles for dislocation glide during deformation. The findings present routes for the design of wear-resistant nitride coatings by phase stability tuning.The authors acknowledge support from the Swedish Research Council (VR) and the Foundation for Strategic Research (SSF) Materials Research program on Low-temperature Thin Film synthesis. Jörg Neidhardt is acknowledged for assistance with the hardness measurements.

Place, publisher, year, edition, pages
American Institute of Physics , 2005. Vol. 86, no 13, article id 131922
National Category
Physical Sciences
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URN: urn:nbn:se:hig:diva-40419DOI: 10.1063/1.1884743OAI: oai:DiVA.org:hig-40419DiVA, id: diva2:1710568
Available from: 2022-11-14 Created: 2022-11-14 Last updated: 2022-11-14Bibliographically approved

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Hugosson, Håkan Wilhelm

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