A method of dopant electron energy spectrum parameterization for calculation of single-electron nanodevices

Solitary dopants in semiconductors and dielectrics that possess stable electron structures and interesting physical properties may be used as building blocks of quantum computers and sensor systems that operate based on new physical principles. This study proposes a phenomenological method of parameterization for a single-particle energy spectrum of dopant valence electrons in crystalline semiconductors and dielectrics that takes electron–electron interactions into account. It is proposed to take electron–electron interactions in the framework of the outer electron shell model into account. The proposed method is applied to construct the procedure for the determination of the effective dopant outer shell capacity and the method for calculation of the tunneling current in a single-electron device with one or several active dopants–charge centers.