Abstract
AbstractA method is suggested for finding the Born‐Mayer repulsive parameters of a divalent defect cation in an alkali halide crystal, from the charge density overlap of the interacting ions. These parameters are utilised to calculate the heat of formation of dilute solid solutions of CaCl2, SrCl2 in each of the three alkali chlorides NaCl, KCl, and RbCl and those of CaF2, SrF2 in each of the three alkali fluorides NaF, KF, and RbF following the standard procedure of minimising the lattice energy numerically, as a function of the relaxation of the nearest neighbours, when the defect cation occupies a substitutional position. As known that the calculation of the heat of formation of solid solutions is very sensitive to the proper choice of the repulsive parameters, so these physically plausible calculated values suggest the validity of the method forfinding the solution enthalpies of divalent defects in alkali halides.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
