ADSORPTION AND DISSOCIATION MECHANISM OF EXCITED N-2 ON ZNSE SURFACE

Nitrogen molecular adsorption and dissociation on the ZnSe (100) surface has been examined by ab initio molecular orbital theory. Based on the electronic structure and energetics, the excited (3SIGMA(u)+) nitrogen molecule can be selectively adsorbed and dissociated on a Zn atom of the ZnSe surface. This result supports the contention recently presented that the p-type ZnSe layers grown by plasma discharge, which successfully realized blue-green lasers, is grown by the excited (3SIGMA(u)+) nitrogen molecular beam.