Investigations on non-stoichiometric zirconium nitrides

Benia, Hadj M.; Guemmaz, M.; Schmerber, G.; Mosser, A.; Parlebas, J.C.

doi:10.1016/s0169-4332(02)00925-x

Cited by 79 publications

(59 citation statements)

References 27 publications

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“…c-ZrN x is less sensitive for the nitrogen concentration and can form even with nitrogen contents higher than x 5 1. [38][39][40] Further, the c-ZrN phase can dissolve small amounts of Al and form a metastable c-ZrAlN phase. 21,41,42 The observed ZrN phase can thus contain both a higher nitrogen content than 50 at.% and possibly some Al.…”

Section: B Structure Evolution During Annealingmentioning

confidence: 99%

Phase transformations in nanocomposite ZrAlN thin films during annealing

et al. 2012

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Nanocomposite Zr 0.52 Al 0.48 N 1.11 thin films consisting of crystalline grains surrounded by an amorphous matrix were deposited using cathodic arc evaporation. The structure evolution after annealing of the films was studied using high-energy x-ray scattering and transmission electron microscopy. The mechanical properties were characterized by nanoindentation on as-deposited and annealed films. After annealing in temperatures of 1050-1400°C, nucleation and grain growth of cubic ZrN takes place in the film. This increases the hardness, which reaches a maximum, while parts of the film remain amorphous. Grain growth of the hexagonal AlN phase occurs above 1300°C.

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Section: B Structure Evolution During Annealingmentioning

confidence: 99%

Phase transformations in nanocomposite ZrAlN thin films during annealing

et al. 2012

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“…[17][18][19][20] The data revealed strong ͑111͒ and ͑200͒ preferred orientations though other diffraction lines were also observed. The lattice structure of TaZrN consisted of a solid solution whereby Zr atoms were substituted by Ta atoms.…”

Section: A Lattice Constantsmentioning

confidence: 99%

Structural and mechanical properties of TaZrN films: Experimental and ab initio studies

Aouadi

2006

Journal of Applied Physics

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This paper reports on the growth and characterization of the structural and mechanical properties of tantalum zirconium nitride films and the subsequent simulation of these properties using an ab initio calculation based on density functional theory ͑DFT͒ within the generalized gradient approximation. The films were deposited by reactive unbalanced magnetron sputtering and their physical and chemical properties were studied by means of x-ray diffraction ͑XRD͒, Rutherford backscattering ͑RBS͒, and nanoindentation. XRD revealed that these films formed a solid solution and that the lattice constant decreased linearly with Ta content. RBS provided the elemental composition of the films. Nanoindentation was used to evaluate the hardness and the elastic modulus. The hardness was found to have high values for a Ta/ ͑Ta+ Zr͒ of 30% and 100%. The elastic modulus was found to increase monotonically with Ta content. The intrinsic elastic constants were calculated using DFT and the results were compared to the experimental values. A correlation between the computational and the experimental Young's modulus was established. However, the trends observed for the measured hardness and the calculated shear modulus were not in agreement. This disagreement was due to the prominent extrinsic component of the hardness for these materials.

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“…• C, a Knoop hardness of 2000 kg/mm 2 [4] and a superconducting transition temperature of ∼10 K. The material has attracted much interest, but good understanding has been elusive because, as in other transition metal carbides and nitrides [5][6][7][8][9][10][11][12], TaC exists over a wide range of compositions outside stoichiometry and its physical properties vary as a consequence. Mechanical, thermal, electrical and optical properties have been investigated from both theoretical and experimental points of view [13][14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and optical properties of TaC from the first principles calculation

et al. 2005

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Abstract. The electronic and optical properties of tantalum carbide TaC have been calculated using the full-potential linearized augmented-plane-wave method within the local density approximation scheme for the exchange-correlation potential. We find that the optical spectra can be extremely sensitive to the Brillouin zone sampling. The influence of relativistic effects on the dielectric function is investigated. It is shown that the scalar-relativistic correction is much more important than spin-orbit coupling. Our results are found to be in good agreement with the available experimental data. The determinant role of a band structure computation with respect to the analysis of optical properties is discussed. PACS

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Investigations on non-stoichiometric zirconium nitrides

Cited by 79 publications

References 27 publications

Phase transformations in nanocomposite ZrAlN thin films during annealing

Phase transformations in nanocomposite ZrAlN thin films during annealing

Structural and mechanical properties of TaZrN films: Experimental and ab initio studies

Electronic structure and optical properties of TaC from the first principles calculation

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