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M5C4 Phases—New Family of Carbide Superstructures

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Abstract

Monoclinic, orthorhombic, and tetragonal models are proposed for the M5C4 superstructures of nonstoichiometric cubic transition metal MCy carbides on the basis of symmetry analysis, the concept of a disorder–order transition channel, and a distribution function. Each of the disorder–order transition channels related to the formation of these model superstructures includes four superstructural vectors, which are the rays of non-Lifshitz stars {k1}, {k2}, or {k4}. The distribution functions of carbon C atoms over the sites of the M5C4 superstructures are calculated. The estimated probabilities of existence of vacancy pair configurations in the superstructures under study suggest that the tetragonal M5C4 superstructure is the most stable of them.

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Funding

This work was supported by the Russian Foundation for Basic Research, project no. 20-52-53010.

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Authors and Affiliations

  1. Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, 620990, Yekaterinburg, Russia

    M. G. Kostenko, S. I. Sadovnikov & A. I. Gusev

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  1. M. G. Kostenko
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  2. S. I. Sadovnikov
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  3. A. I. Gusev
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Correspondence to M. G. Kostenko or A. I. Gusev.

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Translated by K. Shakhlevich

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Kostenko, M.G., Sadovnikov, S.I. & Gusev, A.I. M5C4 Phases—New Family of Carbide Superstructures. J. Exp. Theor. Phys. 131, 572–581 (2020). https://doi.org/10.1134/S1063776120090058

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