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- Joelsson, Torbjörn, 1972-, et al.
(författare)
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Phase stability tuning in the NbxZr1-xN thin-film system for large stacking fault density and enhanced mechanical strength
- 2005
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Ingår i: Applied Physics Letters. - : AIP Publishing. - 0003-6951 .- 1077-3118. ; 86:13
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Tidskriftsartikel (refereegranskat)abstract
- The phase stability of hexagonal WC-structure and cubic NaCl-structure 4d transition metal nitrides was calculated using first-principles density functional theory. It is predicted that there is a multiphase or polytypic region for the 4d transition metal nitrides with a valence electron concentration around 9.5 to 9.7 per formula unit. For verification, epitaxial NbxZr1-xN (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=0.5 composition. The nanoindentation hardness of the films varied between 21 GPa for the binary nitrides, and 26 GPa for Nb0.5Zr0.5N. Unlike the cubic binary nitrides, no slip on the preferred [1 (1) over bar0]{110} slip system was observed. The increase in hardness is attributed to the increase in defect density at x=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.
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2. |
- Lu, J., et al.
(författare)
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Chemical vapour deposition of molybdenum carbides : aspects of phase stability
- 2000
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Ingår i: Thin Solid Films. - 0040-6090 .- 1879-2731. ; 370:02-jan, s. 203-212
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Tidskriftsartikel (refereegranskat)abstract
- Thin films of different molybdenum carbides (delta-MoC1-x, gamma'-MoC1-x and Mo2C) have been deposited from a gas mixture of MoCl5/H-2/C2H4 at 800 degrees C by CVD. The H-2 content in the vapour has a strong influence on the phase composition and microstructure. Typically, high H-2 contents lead to the formation of nanocrystalline delta-MoC1-x films while coarse-grained gamma'-MoC1-x, is formed with an H-2-free gas mixture. This phase has previously only been synthesized by carburization of Mo in a CO atmosphere and it has therefore been considered as an oxycarbide phase stabilized by the presence of oxygen in the lattice. Our results, however, show that gamma'-MoC1-x films containing only trace amounts of oxygen can be deposited by CVD. Stability calculations using a FP-LMTO method confirmed that the gamma'-MoC1-x phase is stabilized by oxygen but that the difference in energy between e.g. delta-MoC0.75 and oxygen-free gamma'-MoC0.75 is Small enough to allow the synthesis of the latter phase in the absence of kinetic constraints. Annealing experiments of metastable delta-MoC1-x and gamma'-MoC1-x films showed two different reaction products suggesting that kinetic effects play an important role in the decomposition of these phases.
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