Electronic structure of cubic tungsten subnitride W2N in comparison to hexagonal and cubic tungsten mononitrides WN |
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| Authors: | D. V. Suetin I. R. Shein A. L. Ivanovskii |
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| Affiliation: | (1) Department of Chemistry, Graduate School of Science, Osaka University, Machikaneyama 1-1, Toyonaka Osaka, 560-0043, Japan |
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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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