Comparative investigation of NbN and Nb-Si-N films: Experiment and theory

Иващенко, В. И.; Scrynskyy, P.L.; Lytvyn, O. S.; Butenko, O. O.; Sinelnichenko, O. K.; Gorb, Leonid; Hill, Frances C.; Leszczyński, Jerzy; Kozak, A.O.

doi:10.3103/s1063457614060033

Cited by 8 publications

(10 citation statements)

References 38 publications

(62 reference statements)

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“…11a that, along with the new Si 3 N 4 -like units, some of the original six-fold coordinated SiN 6 units are still present albeit distorted. More information about this interface can be found elsewhere [30].…”

Section: Theoretical Results and The Interpretation Of Experimental Datamentioning

confidence: 99%

“…The δ-NbN(001)/Si 3 N 4 heterostructures were investigated in our previous work [30]. Nevertheless, we included the discussion on these interfaces to compare them with the heterostructures computed in this investigation.…”

Section: Theoretical Methodsmentioning

confidence: 99%

“…Hence, one can expect that Nb-Si-N nanocomposite will combine the properties of the constituent materials and will have improved properties as compared to NbN. Recently the comprehensive review of the investigations on NbN and Nb-Si-N films deposited by magnetron sputtering was reported [30]. It was shown that the NbN system crystallizes in different structural phases: cubic δ-NbN (a small number of vacancies are present in both the sublattices, space group Fm-3m) and hexagonal ε-NbN (space group P-6 m2) and δ ′-NbN (space group P6 3 /mmc), depending on deposition parameters.…”

Section: Introductionmentioning

confidence: 99%

“…Moreover, previous simulations of NbN/SiN x nanostructures were restricted to δ-NbN(001)/Si 3 N 4 interfaces [30].…”

Section: Introductionmentioning

confidence: 99%

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

Pogrebnjak

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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: Theoretical Results and The Interpretation Of Experimental Datamentioning

confidence: 99%

Section: Theoretical Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…Moreover, previous simulations of NbN/SiN x nanostructures were restricted to δ-NbN(001)/Si 3 N 4 interfaces [30].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

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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“…The nanohardness, the elastic modulus, and the Knoop hardness are maximal in the Nb-Al-N films with grain sizes of 30-40 nm. The increase in the nanohardness from 28 GPa in the NbN film [11] to 32 GPa in the Nb-Al-N films is likely due to the for mation of a nanocomposite structure of this film. We find that the Knoop hardness is ~50% higher than the nanohardness.…”

Section: Resultsmentioning

confidence: 94%

Structure and properties of nanocomposite Nb-Al-N films

et al. 2015

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Abstract-Nanocomposite Nb-Al-N films prepared by magnetron sputtering have been studied. It has been found that, in the films, there are two stable crystalline structural states, namely, NbN z and B1-Nb 1 ⎯ x Al x N y O 1 -y , and an amorphous like component related to aluminum oxynitride upon reactive mag netron sputtering. It has been established that the substructure characteristics are sensitive to the current sup plied to an Al target and are related to the Knoop nanohardness and hardness, which change in the ranges of 29-33.5 and 46-48 GPa, respectively. Ab initio calculations for the NbN z and Nb 2 AlN phases and NbN/AlN heterostructures have been performed to interpret the obtained results for the first time.

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