Summary
A recently proposed pseudopotential method for computing lattice energies is used in the study of the phase diagram of (CuGaTe2)1−x (2ZnTe) x solid solutions. The stability of the two possible crystal structures,i.e. chalcopyrite and zincblende, is studied over the whole range of concentration at different temperatures. The effect of disorder on the phase diagram is finally discussed.
Riassunto
In questo lavoro si studia il diagramma di fase della soluzione solida (CuGaTe2)1−x (2ZnTe) x tramite il calcolo delle energie reticolari ottenute con un metodo recentemente proposto che sfrutta le proprietà dello pseudopotenziale. Si determina per tutte, le composizioni quali delle due possibili structture cristalline zincoblenda o calcopirite è stabile alle varie temperature. Inoltre si discute l'effetto del, disordine sul diagramma di fase.
Резюме
Недавно предложенный метод псевдопотенциала для вычисления энергии решетки используется для исследования фазовой диаграммы твердых растворов (CuGaTe2)1−x (2ZnTe) x . При различных температурах изучается устойчивость двух возможных кристаллических структур во всей области концентраций. Обсуждается влияние неупорядоченности на фазовую диагамму.
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Casula, F., Mula, G. Theoretical analysis of the phase diagram of the (CuGaTe2)-(2ZnTe) system. Il Nuovo Cimento D 2, 1650–1657 (1983). https://doi.org/10.1007/BF02457846
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DOI: https://doi.org/10.1007/BF02457846