Modeling of Bulk Modulus of A$_2$BX$_6$ cubic crystals (A = K, Cs, Rb, TI, NH$_4$; B= tetravalent cation; X=F, Cl, Br, I) using semi-empirical Model.
2021
Ionic charges were related through bulk modulus through linear regression. These two parameters yield a straight regression line, when plotted but fall on different positions due the variation in bulk modulus values. The calculated values of bulk moduli reflecting elastic characteristics are in close agreement with other available values. As, these values are only differ by average of 3% from values of literature. Moreover, the regression resulted in a good values of correlation coefficient (R=0.77) and Probability (P=0.001). These all show the accuracy and reliability of the current work. The technique adopted in this work will be helpful to material scientists for finding new materials with referred elastic characteristics among structurally similar materials, also the calculated data will act as reference for upcoming investigation of the studied compounds.
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