Two-phase theory of the heat of formation of non-stoichiometric palladium hydride
P D Anagnostaras; J E Lowther; P D Anagnostaras; Dept. of Phys., Witwatersrand Univ., Johannesburg, South Africa; J E Lowther; Dept. of Phys., Witwatersrand Univ., Johannesburg, South Africa
Журнал:
Journal of Physics F: Metal Physics
Дата:
1985-01-01
Аннотация:
A simple two-phase model for non-stoichiometric palladium hydride (PdH<sub>x</sub>, 0<or=x<or=1) is described. This model is applied within the cluster-Bethe formalism. Local densities of states, charge densities, total energy and heat of formation are calculated, and the results are compared with the authors' previous one-phase theory and with experiment. The two-phase model gives results which are closer to experimental findings than those of the one-phase theory, especially for lower values of x(x<0.5).
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