Apresentamos aqui resultados de propriedades eletrônicas relacionadas à defeitos complexos em GaAs. Os cálculos autoconsistentes da estrutura eletrônica foram feitos usando o método do espalhamento múltiplo X a junto com o modelo do aglomerado molecular e com os orbitais de superfície saturados com a esfera de Watson.

We repor! resu/ts for e/ectronic properties related to complex defects in GaAs. The self-consistent-fie/d electronic structure ca/culations were performed by using the multiplescattering X a method within framework of Watson-sphere-terminated molecular cluster model. We have simulated, first, the electronic states of the 26-atom clusters: 26Td/1As (tetrahedral interstitial As centered cluster), 26Td/1Ga (tetrahedral interslitial Ga cenlered clusle!) and 26C3v (trigonal cluster centered in the middle of a Ga-As bond).