Abstract
AbstractCohesive and harmonic and anharmonic elastic properties are investigated of CaF2—SrF2 mixed crystals using a three‐body interaction potential which consists of the long‐range Coulomb and three‐body interactions and short‐range van der Waals‐attraction and overlap repulsion, effective upto the second neighbour ions. This two parameter model potential successfully predicts the cohesive energy, the higher order elastic constants, and the pressure derivatives of the second order elastic constants of CaF2—SrF2 mixed crystals.
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