Structure and mechanical properties of vacuum arc-deposited NbN coatings

Zhitomirsky, V.N.; Grimberg, I.; Rapoport, L.; Travitzky, Nahum; Boxman, R.L.; Goldsmith, S.; Raihel, A.; Lapsker, I.; Weiss, B. Z.

doi:10.1016/s0040-6090(98)00544-6

Cited by 86 publications

(43 citation statements)

References 31 publications

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“…The hardness of such films is much higher than the bulk material (HV¼14 GPa) and higher than other binary nitride films (TiN, ZrN, VN). The hardness of the NbN films deposited by different arc deposition systems reaches 34-49 GPa [8][9][10][11][12][13]. The NbN films were also prepared by using magnetron sputtering (MS) [14][15][16][17][18], ion Contents lists available at ScienceDirect journal homepage: www.elsevier.com/locate/ceramint beam assisted deposition [19], pulsed laser deposition [20].…”

Section: Introductionmentioning

confidence: 99%

Structural and mechanical properties of NbN and Nb-Si-N films: Experiment and molecular dynamics simulations

Pogrebnjak

Бондар

Abadias

et al. 2016

Ceramics International

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a b s t r a c tThe structural and mechanical properties of NbN and Nb-Si-N films have been investigated both experimentally and theoretically, in their as-deposited and annealed states. The films were deposited using magnetron sputtering at substrate bias (U B ) between 0 and À 70 V. While NbN films were found to crystallize in the cubic δ-NbN structure, Nb-Si-N films with Si content of 11-13 at% consisted of a twophases nanocomposite structure where δ-NbN nanocrystals were embedded in SiN x amorphous matrix.Films deposited at U B ¼0 V were highly (001)-textured. Application of substrate bias potential led to a depletion of light atoms, and caused a grain size refinement concomitantly with the increase of (111) preferred orientations in both films. The maximum hardness was 28 GPa and 32 GPa for NbN and Nb-Si-N films, respectively. NbN and Nb-Si-N films deposited at U B ¼ À70 V exhibited compressive stress of À 3 and À 4 GPa, respectively. After vacuum annealing, a decrease in the stress-free lattice parameter was observed for both films, and attributed to alteration of film composition. To obtain insights on interface properties and related mechanical and thermal stability of Nb-Si-N nanocomposite films, first principles molecular dynamics simulations of NbN/SiN x heterostructures with different structures (cubic and hexagonal) and atomic configurations were carried out. All the hexagonal heterostructures were found to be dynamically stable and weakly dependent on temperature. Calculation of the tensile strain-stress curves showed that the values of ideal tensile strength for the δ-NbN(111)-and ε-NbN(001)-based heterostructures with coherent interfaces and Si 3 N 4 -like Si 2 N 3 interfaces were the highest with values in the range 36-65 GPa, but lower than corresponding values of bulk NbN compound. This suggests that hardness enhancement is likely due to inhibition of dislocation glide at the grain boundary rather than interfacial strengthening due to Si-N chemical bonding.

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Section: Introductionmentioning

confidence: 99%

Structural and mechanical properties of NbN and Nb-Si-N films: Experiment and molecular dynamics simulations

Pogrebnjak

Бондар

Abadias

et al. 2016

Ceramics International

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“…With thin film deposition approaches it is possible to synthesize the metastable B1 cubic NbN at room temperature [33]. The lattice parameter of cubic B1 NbN is 4.39 Å [34].…”

Section: Binary Nitridesmentioning

confidence: 99%

“…The lattice parameter of cubic B1 NbN is 4.39 Å [34]. The as-deposited film shows a hardness of 42 GPa [33] and even at room temperature, NbN has higher hardness than TiN which makes it promising for protective coating application. Furthermore, it is a material candidate for tunnel junction electrode due to its thermal cyclability and large superconducting energy gap [35].…”

Section: Binary Nitridesmentioning

confidence: 99%

Properties of multilayered and multicomponent nitride alloys from first principles

Wang¹

2018

Linköping Studies in Science and Technology. Dissertations

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This thesis is a theoretical exploration of properties of multilayered and multicomponent nitride alloys, in particular their mixing thermodynamics and elastic behaviors. Systematic investigation of properties of a large class of materials, such as the multicomponent nitride solid solutions, is in line with the modern approach of high-throughput search of novel materials. In this thesis we benchmark and utilize simple but efficient methodological frameworks in predicting mixing thermodynamics, Young's moduli distribution of multilayer alloys and the linear thermal expansion of quaternary nitride solid solutions.We demonstrate by accurate ab-initio calculations that Ti 1−x Al x N solid solution is stabilized by interfacial effects if it is coherently sandwiched between TiN layers along (001). For TiN/AlN and ZrN/AlN multilayers we show higher thermodynamic stability with semicoherent interfaces than with isostructural coherent ones.Accurate 0 Kelvin elastic constants of cubic Ti x X y Al 1−x−y N (X=Zr, Hf, Nb, V, Ta) solid solutions and their multilayers are derived and an analytic comparison of strengths and ductility are presented to reveal the potential of these materials in hard coating applications. The Young's moduli variation of the bulk materials has provided a reliable descriptor to screen the Young's moduli of coherent multilayers.The Debye model is used to reveal the high-temperature thermodynamics and spinodal decomposition of Ti x Nb y Al 1−x−y N. We show that though the effect of vibration is large on the mixing Gibbs free energy the local spinoal decomposition tendencies are not altered. A quasi-harmonic Debye model is benchmarked against results of molecular dynamics simulations in predicting the thermal expansion coefficients of Ti x X y Al 1−x−y N (X=Zr, Hf, Nb, V, Ta).v Sammanfattning Denna avhandling är en teoretisk undersökning av egenskaperna hos multilager och multikomponentlegeringar av nitrider, särskilt deras blandningstermodynamik och elastiska egenskaper. Systematiska undersökningar av egenskaperna hos en stor materialfamilj, såsom fasta lösningar av multikomponentnitrider, ligger i linje med den moderna angreppsvinkeln av massundersökningar i sökandet efter nya material. I denna avhandling utvärderar och använder vi enkla men effektiva metodologiska ramverk för att förutsäga blandningstermodynamik, fördelning av Young's moduli multilager och den linjära termiska expansionen i kvaternära fasta lösningar av nitrider.Vi visar med precisa ab-initio-beräkningar att en fast lösning av Ti 1−x Al x N stabiliseras av gränssnittseffekter om den placeras koherent mellan TiN-skikt längs med (001). För multilager av TiN/AlN och ZrN/AlN påvisar vi högre termodynamisk stabilitet med semikoherenta gränsskikt än med isostrukturella koherenta. Precisa elastiska konstanter vid 0 K för kubiska fasta lösningar av Ti x X y Al 1−x−y N (X=Zr, Hf, Nb, V, Ta) och deras multilager beräknas och en analytisk jämförelse av deras hållfasthet och duktilitet presenteras för att visa dessa materials potential ...

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“…1), for deposition at room temperature and a nitrogen concentration above 45%, two different phases can be identified in the coating, namely, δ-NbN with a cubic B1 structure (Fig 2a, NaCl, #225, Fm3m), which is described in detail in [81][82][83][84] and ε-NbN with a hexagonal B i structure (Fig. 2d, TiP, #194, P6 3 /mmc) [81,83].…”

Section: Crystal Structure and Morphology Of Nbn-based Coatingsmentioning

confidence: 99%

“…A specific feature of thin coatings is the presence of δ'-NbN with a hexagonal B8 1 structure (Fig. 2e, NiAs, #194, P6 3 /mmc) [82,84].…”

Section: Crystal Structure and Morphology Of Nbn-based Coatingsmentioning

confidence: 99%

Structure and physicomechanical properties of NbN-based protective nanocomposite coatings: A review

Pogrebnjak

Rogoz

Бондар

et al. 2016

Prot Met Phys Chem Surf

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Abstract-This review summarizes the present-day achievements in the study of the structure and properties of protective nanocomposite coatings based on NbN, NbAlN, and NbSiN prepared by a variety of modern deposition techniques. It is shown that a change in deposition parameters has a significant effect on the phase composition of the coatings. Depending on the magnitude of negative potential on the substrate, the pressure of nitrogen or a nitrogen-argon mixture in the chamber, and the substrate temperature, it is possible to obtain coatings containing different phases, such as NbN and SiN x (Si 3 N 4 ), AlN, and NbAl 2 N. It is found that, in the case of formation of the ε-NbN phase, the coatings become very hard; their hardness achieves values on the order of 53 GPa. At the same time, they remain thermally stable at temperatures of up to 600°C, chemically inert, and resistant to wear. The effect of the nanograin size, the volume fraction of boundaries and interfaces, and the point defect concentration on the physicomechanical properties of these coatings is described. Niobium nitride-based coatings can be used in superconducting systems and single-photon detectors; they are capable of operating under the action of strong magnetic fields of up to 20 T; they can be used in integrated logic circuits and applied as protective coatings of machine parts, edges of cutting tools, etc.

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Structure and mechanical properties of vacuum arc-deposited NbN coatings

Cited by 86 publications

References 31 publications

Structural and mechanical properties of NbN and Nb-Si-N films: Experiment and molecular dynamics simulations

Structural and mechanical properties of NbN and Nb-Si-N films: Experiment and molecular dynamics simulations

Properties of multilayered and multicomponent nitride alloys from first principles

Structure and physicomechanical properties of NbN-based protective nanocomposite coatings: A review

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