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- W2126122011 abstract "Seven different potential forms for the overlap repulsive energy proposed by various investigators as reported in the literature are examined for the fluorite-structure crystals, viz. CaF2, SrF3, BaF2, PbF2, Sr(NO3)2, Ba(NO3), and Pb(NI3)2. A number of crystalline state properties such as cohesive energy, bulk modulus and its pressure derivatives, Grünesien und Anderson parameters, first and second order volume and pressure derivatives of dielectric constants are calculated using different potential functions. The results obtained are found to compare well with available experimental data, and also reveal the usefulness of the approach based on interionic potentials in predicting new results. Sieben verschiedene Potentialformen für die abstoßende Überlappungsenergie, die von verschiedenen Autoren in der Literatur vorgeschlagen werden, werden für Fluoritstrukturkristalle, CaF2, SrF2, BaF2, PbF2, Sr(NO3)2, Ba(NO3)2 und Pb(NO3)2 untersucht. Eine Anzahl von Eigenschaften des kristallinen Zustands, Kohäsionsenergie, Elastizitätsmodul und seine Druckableitungen, Grüneisen- und Andersonparameter, Volumen- und Druckableitung erster und zweiter Ordnung der Dielektrizitätskonstante werden mit sieben verschiedenen Potentialfunktionen berechnet. Die erhaltenen Ergebnisse stimmen gut mit vorliegenden experimentellen Werten überein und zeigen die Nützlichkeit des Verfahrens auf der Basis des Interionenpotentials für die Vorhersage neuer Ergebnisse." @default.
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- W2126122011 date "1986-10-01" @default.
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- W2126122011 title "Effective Potentials and Crystalline State Properties of Some Fluorite-Structure Crystals" @default.
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