Substitutional Defect Pairs inGaAs1−xPx

Abstract

A theory of paired substitutional $s{p}^3$-bonded defects in zincblende hosts is presented and successfully applied to the (spectator, oxygen) paris (Zn, O) and ($V_{\mathrm{Ga}}$,O) in $\mathrm{Ga}{\mathrm{As}}_{1-x}{\mathrm{P}}_x$ and to (Mg, O), (Cd, O), (Zn, O), ($V_{\mathrm{Ga}}$,O), and (Si, O) in GaP. Spectator impurities, when paired with isolated oxygen, may alter the oxygen binding energy or even drive its deep $A_1$ level out of the band gap.