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- W2006680147 abstract "An interionic potential model is proposed for crystals with antifluorite structure which consists of long-range Coulomb and three-body interactions (TBI), and short-range dispersive and repulsive interactions up to second-neighbour ions. This potential is used to calculate the cohesive energy, second-order elastic constants, and their pressure derivatives of Na2S. The calculated values of elastic constants and cohesive energy agree well with their measured data which shows that the TBI contribute significantly to these properties.Es wird ein Interionenpotentialmodell fur Kristalle mit Antifluoritstruktur vorgeschlagen, das aus weitreichenden Coulomb- und Dreikorper-Wechselwirkungen (TBI) und kurzreichweitigen dispersiven und repulsiven Wechselwirkungen bis zu den zweiten Ionennachbarn besteht. Dieses Potential wird benutzt, um die Kohasionsenergie, die elastischen Konstanten zweiter Ordnung und deren Druckableitungen fur Na2S zu berechnen. Die berechneten Werte der elastischen Konstanten und der Kohasionsenergie stimmen gut mit ihren gemessenen Werten uberein, was zeigt, das die TBI betrachtlich zu diesen Eigenschaften beitragen." @default.
- W2006680147 created "2016-06-24" @default.
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- W2006680147 date "1984-09-01" @default.
- W2006680147 modified "2023-09-22" @default.
- W2006680147 title "Interionic Forces and Elastic Properties of Na2S" @default.
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- W2006680147 doi "https://doi.org/10.1002/pssb.2221250112" @default.
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