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Density Functional Pseudopotential Calculation of the Cohesive Properties of Disordered Solid Alloys of Alkaline-Earth Metals. Influence of the Ionic Pseudopotential

✍ Scribed by D. J. González; C. M. Zapata; J. A. Alonso

Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
335 KB
Volume
129
Category
Article
ISSN
0370-1972

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Density functional pseudopotential calcu
Density functional pseudopotential calculation of the cohesive properties of disordered solid alloys of nontransition metals application to Zn—Cd
✍ D. J. González; M. L. Zorita; J. A. Alonso; M. P. I≁iguez 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 353 KB

## Abstract A density functional pseudopotential method is used to calculate the heat of formation and the equilibrium volume of Zn~__x__~Cd~1—__x__~ as a function of the concentration __x__. Then an estimation of the free energy of formation is given and the results are used to explain the main fe