Effective Charges and Lattice Dynamics of Zineblende Structure Crystals I. Effective Charges

Abstract

Abstract The cohesive energies of the zineblende and wurtzite structure are expressed as a sum of covalent and ionic parts. It is shown that the Lippincott potential function is a good representation of the covalent contribution and that effective charges may be obtained from the experimental bulk moduli and the Lippincott function. These charges are compared with other estimates. Heats of atomisation for a series of II–VI and III–V compounds are correlated.