Theory of the heat of formation in homovalent disordered solid alloys of non-transition metals
- 1 September 1982
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 12 (9) , 1907-1921
- https://doi.org/10.1088/0305-4608/12/9/013
Abstract
A density functional pseudopotential formalism is used to calculate the heat of formation and the volume of formation of disordered solid alloys formed by two alkali metals and two alkali-earth metals. The results are then analysed in terms of the semi-empirical parameters (electronegativity, charge transfer and interstitial electron density) often used in the semi-empirical descriptions of the alloy formation process.Keywords
This publication has 30 references indexed in Scilit:
- Density functional-pseudopotential calculation of the heat of formation of disordered solid alkaline-earth alloysPhysica B+C, 1982
- Partial pressure contributions to the equation of state of alkaline-earth metalsPhysica B+C, 1982
- "Thomas-Fermi-pseudopotential" approach for calculating the static properties of simple metalsPhysical Review B, 1980
- Theory of the formation of metallic glassesPhysical Review B, 1980
- On the electronegativity parameters of the theory of heats of alloy formationSolid State Communications, 1979
- Electronegativity scale for metalsPhysical Review B, 1979
- Nonlocality and the energy of alloy formationJournal of Physics F: Metal Physics, 1978
- AB-Initio pseudopotential calculations of the structure and stability of binary alloys and intermetallic compoundsCalphad, 1977
- Electron-ion pseudopotentials in metalsPhysics Letters, 1966
- Quantum theory of cohesionIl Nuovo Cimento (1869-1876), 1958