Calculating Bond-Stretching Force Constant of Binary Cubic Semiconductors and Ionic Materials Using a Simple Theoretical Approach

The vibrational dispersion relation of solid linear lattice of diatomic primitive cell, taking to account only the nearest-neighbor interaction between atoms, after generalizing it to become expressive of the three-dimensional one, was used to obtain a mathematical relation connecting the interatomic bond-stretching force constant with the bulk modulus and the equilibrium lattice constant for ANB8-N binary semiconductors and binary ionic materials (monatomic ones automatically included). The analytical approach was supported by computer statistical adjustment, and the accuracy of the obtained mathematical formula was confirmed by comparing it with many values reported by other researchers with large number of materials of different groups, each of whom got a mathematical relation that differs from those of the others. Discovering mathematical relations that link microscopic variables to macroscopic ones is of paramount importance in the field of chemistry. These variables are intricately intertwined with other chemical parameters, such as cohesive energy and fusion energy. Furthermore, this knowledge significantly enhances our comprehension of the transformations that occur within the constituents of a substance as temperature fluctuates or chemical reactions transpire, shedding light on the alterations in the bonds between atoms or molecules in the substance.