A local Heine-Abarenkov model potential is proposed for diamond type crystals. Two parameters are determined by satisfying the zero pressure condition and the first zero of the empirical pseudopotential interpolated from band calculations. Calculated values of bulk modulus for Si, Ge, and ti-Sn are in good agreement with the experimental data.Es wird ein lokales Heine-Abarenkov-Modellpotential fur Diamant-Typ-Kristalle vorgeschlagen.Zwei Parameter werden aus der Bedingung verschwindenden Druckes und der ersten Nullstelle des empirischen Pseudopotentials bestimmt. Die berechneten Werte der Volumen-Elastizititsmoduln fur Silizium, Germanium und a-Zinn stimmen gut mit experimentellen Daten uberein.
A local Heine-Abarenkov model potential satisfying the energy minimum condition of the crystal is presented for alkali metals. The remaining parameter is determined from the first zero of the original pseudopotential by Animalu and Heine themselves using the atomic energy levels from spectroscopic data. The local Heine-Abarenkov potential obtained is noticeably different for Li from the previous models. Then, the crystal energy, pressure and bulk modulus of alkali metals are calculated and compared with the results of the previous models by other workers. The third order contributions are also investigated, and their effects are not negligible but small for alkali metals except Li.
The phase diagrams of the Cs-K, Cs-Rb, Rb-K, Cs-Na, Rb-Na, and K-Na systems are investigated using the pseudo alloy atom model and the local Heine-Abarenkov model potential. For the Cs-K, Cs-Rb and Rb-K systems, the curves obtained near the melting point show reasonable agreement with experimental data, and the calculated results predict the presence of a mixture of two phases at low temperatures. Then, the Cs-Na, Rb-Na, and K-Na systems show complete immiscibility.Die Phasendiagramme der Cs-K-, Cs-Rb-, Rb-K-, Cs-Na-, Rb-Na-und K-Na-Systeme werden mit dem Pseudolegierungs-Atommodell und dem lokalen Heine-Abarenkov-Modellpotential untersucht. Fur die Cs-K-, Cs-Rb-nud Rb-K-Systeme stimmen die berechneten Kurven nahe dem Schmelzpunkt gut mit experimentellen Daten iiberein, und die Ergebnisse sagen die Existenz einer Mischung von zwei Phasen bei tiefen Temperaturen voraus. Die Cs-Na-, Rb-Na-und K-Na-Systeme ergeben vollkommene Unmischbarkeit. I) Akita 010, Japan. 2, Part I see phys. stat. sol. (b) 107, 761 (1981).
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