A formulation for estimating the enthalpy of formation of neutral, isolated antisite defects in IIIhyphen;V compound semiconductors is presented, in which it is assumed that the formation enthalpy is comprised of disorder and electronic contributions. The disorder contribution was previously calculated by Van Vechten lsqb;J. Electrochem. Soc.122, 423 (1975);HandbookonSemiconductors, edited by S. P. Keller (Northhyphen;Holland, Amsterdam, 1989), Vol. 3, Chap. 1rsqb;. The electronic contribution is equal to the difference of the donor (acceptor) levels with the valencehyphen;band maximum (conductionhyphen;band minimum). The enthalpy of formation of neutral, singly, and doubly ionized, isolated antisites is estimated for GaAs and InP. The enthalpy of formation of neutral antistructure pairs in wide bandhyphen;gap IIIhyphen;V semiconductors is calculated assuming that the binding energy is given by the electrostatic energy of a doubly ionized nearesthyphen;neighbor pair of antisites separated by a normal lattice site. The enthalpy of formation of neutral antistructure pairs in the narrow bandhyphen;gap IIIhyphen;V semiconductors InAs and InSb is estimated assuming the binding energy is twice the bandhyphen;gap energy.
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