A modified model for calculating lattice thermal expansion of I2–IV–VI3 and I3–V–VI4 tetrahedral compounds

A general empirical formula was found for calculating lattice thermal expansion for compounds having their properties extended for compound groups having different mean ionicity as well as more than one type of cation atoms with that of different numbers of them such as I2–IV–VI3 and I3–V–VI4. The difference in the valence electrons for cations and anions in the compound was used to correlate the deviations caused by the compound ionicity. The ionicity effects, which are due to their different numbers for their types, were also added to the correlation equation. In general, the lattice thermal expansion for a compound semiconductor can be calculated from a relation containing melting point, mean atomic distance and number of valence electrons for the atoms forming the compound. The mean ionicity for the group compounds forming I2–IV–VI3 was found to be 0.323 and 0.785 for the ternary group compounds of I3–V–VI4.