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Electronic structure of cubic tungsten subnitride W2N in comparison to hexagonal and cubic tungsten mononitrides WN

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Abstract

A full potential FLAPW-GGA method is used to study for the first time the electronic structure of cubic tungsten subnitride W2N, and its equilibrium lattice parameter, density, energy of cohesion, coefficients of low temperature heat capacity and Pauli paramagnetic susceptibility are calculated. It is discussed in comparison to the similar values of hexagonal and cubic tungsten mononitrides WN.

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Authors and Affiliations

  1. Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Ekaterinburg, Russia

    D. V. Suetin, I. R. Shein & A. L. Ivanovskii

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  1. D. V. Suetin
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  2. I. R. Shein
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  3. A. L. Ivanovskii
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Correspondence to A. L. Ivanovskii.

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Original Russian Text Copyright © 2010 by D. V. Suetin, I. R. Shein, and A. L. Ivanovskii

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Translated from Zhurnal Strukturnoi Khimii, Vol. 51, No. 2, pp. 213–217, March–April, 2010.

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Suetin, D.V., Shein, I.R. & Ivanovskii, A.L. Electronic structure of cubic tungsten subnitride W2N in comparison to hexagonal and cubic tungsten mononitrides WN. J Struct Chem 51, 199–203 (2010). https://doi.org/10.1007/s10947-010-0031-1

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  • DOI: https://doi.org/10.1007/s10947-010-0031-1

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