Electronic structure of tungsten aluminum carbides W2AlC and WAlC2
作者： G. D. Suetin , I. R. Shein , A. L. Ivanovskii
DOI: 10.1134/S0036023609090150
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摘要: The full-potential FLAPW-GGA method was used for the first time to calculate electronic structure of hexagonal tungsten aluminum carbides W2AlC and WAlC2 their equilibrium structural parameters, density, cohesion energies, formation low-temperature heat capacity coefficients, Pauli paramagnetic susceptibility. These characteristics are discussed in comparison with analogous parameters initial binary WC Al4C3.
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