Computations of properties of twin planes in silver halide

Computer simulations have been applied to treat the defect properties influenced by twin planes in silver halide. The formation energy of silver and halide twin planes is roughly equal in AgCl, but halide is significantly smaller in AgBr. The Madelung potential is attenuated at twin planes, promoting electron trapping at silver and hole trapping at halide twin planes. The formation energy of components of the Frenkel defect is reduced at the twin plane relative to the perfect crystal.