Abstract: Systematization of Binary Intermetallic Compounds​

U. Walzer. Systematization of binary intermetallic compounds. Phys. Status Solidi (b), 162:75-88, 1990.

Systematization of Binary Intermetallic Compounds

U. Walzer

Zentralinstitut für Physik der Erde, Institutsteil Jena
Burgweg 11, O-6900 Jena, Germany.

Abstract

Norm-conserving pseudopotentials derived from the Dirac equation serve for the derivation of new characteristic quantities. For each chemical element and each electron shell, two characteristic energy and two characteristic spacing quantities are calculated. Therefrom, functions are formed for binary compounds and alloys of type AB. If two each of these functions are plotted in pairs, an arrangement is obtained according to regions with crystals of the same structure type and same space group, of the same melting temperature class etc. This systematics enables us to eliminate unfavourable combinations in the search for specific physical properties. A few results are plotted.

Key words: solid-state physics, metals, intermetallic compounds, pseudopotential, Dirac equation, electron shell, binary compounds, type AB, structure type, space group, Schrödinger equation, exchange-correlation energy, local density approximation, Coulomb potential, Lagrange multiplier, quantum number, exchange-correlation potential, lattice constant, lattice type, transition metal, high pressure, equation of state

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