Structure, stability and bonding of ternary transition metal nitrides

Matenoglou, Grigorios; Κουτσοκέρας, Λουκάς; Lekka, Ch.E.; Abadias, G.; Kosmidis, C.; Evangelakis, G.A.; Patsalas, P.

doi:10.1016/j.surfcoat.2009.06.032

Cited by 54 publications

(21 citation statements)

References 21 publications

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“…the available experimental results [29,[44][45][46][47][48], as shown in Table 3. In addition to the solid agreement with previous data for TiN and VN, the results in Table 1 values.…”

Section: Resultsmentioning

confidence: 99%

Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

2011

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We use density functional theory calculations to explore the effects of alloying cubic TiN and VN with transition metals M = Nb, Ta, Mo, W in 50% concentrations. The obtained ternaries are predicted to become supertough as they are shown to be harder and significantly more ductile compared to the reference binaries. The primary electronic mechanism of this supertoughening effect is shown in a comprehensive electronic structure analysis of these compounds to be the increased valence electron concentration intrinsic to these ternaries. Our investigations reveal the complex nature of chemical bonding in these compounds, which ultimately explains the observed selective response to stress. The findings presented in this paper thus offer a design route for the synthesis of supertough transition metal nitride alloys via valence electron concentration tuning.

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“…the available experimental results [29,[44][45][46][47][48], as shown in Table 3. In addition to the solid agreement with previous data for TiN and VN, the results in Table 1 values.…”

Section: Resultsmentioning

confidence: 99%

Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

2011

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“…A major challenge in materials science is to develop not only hard but also tough coatings, in order to prevent brittle failure when these materials are solicited by external stresses. Predicting ductility versus brittleness is a non-trivial task for TMN as these materials exhibit a combination of metallic, ionic and covalent bonding [21][22][23]. Therefore, the response to plastic deformation is intimately related to their electronic structure.…”

Section: Introductionmentioning

confidence: 99%

Alloying effects on the structure and elastic properties of hard coatings based on ternary transition metal (M = Ti, Zr or Ta) nitrides

Abadias

Djémia

Belliard

2014

Surface and Coatings Technology

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“…For transition-metal-nitride coatings, N vacancy concentrations can be up to 50% [20]. Matenoglou et al [21] reported that the ternary transition metal nitrides Ta x Me 1−x N (Me = Ti, Zr, Hf, Nb, Ta, Mo, W) formed solid solutions over the entire x range (0 < x < 1) and that they were stable in the rock-salt structure regardless of the valence electron configuration of its constituent metals. Ta ), which was attributed to the re-sputtering of N atoms from the surface resulting from the increasing energy of bombarding ions [23,24].…”

Section: Resultsmentioning

confidence: 99%

Ta–Zr–N Thin Films Fabricated through HIPIMS/RFMS Co-Sputtering

Chang

You

2017

Coatings

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Ta-Zr-N thin films were fabricated through co-deposition of radio-frequency magnetron sputtering and high-power impulse magnetron sputtering (HIPIMS/RFMS co-sputtering). The oxidation resistance of the fabricated films was evaluated by annealing the samples in a 15-ppm O 2 -N 2 atmosphere at 600 • C for 4 and 8 h. The mechanical properties and surface roughness of the as-deposited and annealed thin films were evaluated. The results indicated that the HIPIMS/RFMS co-sputtered Ta-Zr-N thin films exhibited superior mechanical properties and lower surface roughness than did the conventional direct current-sputtered Ta-Zr-N thin films and HIPIMS-fabricated ZrN x thin films in both the as-deposited and annealed states.

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Structure, stability and bonding of ternary transition metal nitrides

Cited by 54 publications

References 21 publications

Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

Alloying effects on the structure and elastic properties of hard coatings based on ternary transition metal (M = Ti, Zr or Ta) nitrides

Ta–Zr–N Thin Films Fabricated through HIPIMS/RFMS Co-Sputtering

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