A bond-orbital interpretation of the linear dielectric and magnetic properties of the ternary chalcopyrites

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Abstract
The bond‐orbital theory developed for the elemental and binary tetrahedral semiconductors has been extended for application to the ternary chalcopyrite structure. Using only bond‐orbital parameters defined and determined earlier for the corresponding binary systems we show that the theory is able to reproduce the known experimental data for the long‐wavelength electronic contribution to refractive index of the ternary systems with a rms accuracy of the order of 3%. We also report the experimental measurement of room‐temperature diamagnetic susceptibility for several chalcopyrites and use these data to test the bond‐orbital theory in the magnetic context. Again, we find that the theory is able to reproduce the experimental data (this time with a rms accuracy of about 4%) using only parameters defined for the corresponding binary systems. Finally, we give the bond‐orbital estimates for refractive index and diamagnetic susceptibility for the complete series of I‐III‐VI2 and II‐IV‐V2 ternary chalcopyrites.