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- W3201654319 abstract "The structural properties strontium oxide (SrO) in two phases, namely, Rocksalt (B1) and Cesium Chloride (B2) phases, and a structural transition from B1 to B2 structures are presented. We have estimated the effect of pressure on structural and elastic properties of SrO semiconducting material using an effective inter-ionic potential method, which contain the long-range Coulomb and van der Waals (vdW) interactions and the short-range repulsive interaction of up to second- neighbor ions within the Hafemeister and Flygare approach. To calculate the vdW coefficients Slater-Kirkwood variational method was used. Our calculated phase transition pressure (Pt) is 38.5 GPa. We have also focused on the elastic properties of SrO compound within the effective inter-ionic potential approach and the second order elastic constants (SOEC) were predicted in both the phases. The present calculations have provided a good agreement with the available data reported on this compound." @default.
- W3201654319 created "2021-09-27" @default.
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- W3201654319 date "2021-01-01" @default.
- W3201654319 modified "2023-09-25" @default.
- W3201654319 title "Effect of pressure on structural and elastic properties of strontium oxide" @default.
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- W3201654319 doi "https://doi.org/10.1063/5.0061443" @default.
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