Theoretical study of native defects and impurities in InP

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Abstract
A study is made of the trends in the deep levels, formation energies, and abundances of native defects and impurities in InP. We predict deep-level positions and equilibrium abundances for the eight native tetrahedral point defects. These consist of two vacancies, two antisites, and the two native atoms at both nonequivalent tetrahedral interstitial sites. The effects on native defects of electron irradiation and the introduction of common dopants Zn and S in InP are also investigated. The theoretical studies are done within the local-density approximation using a recently developed parameter-free self-consistent pseudopotential and pseudoatomic orbital scheme.