Effects of impurity size and heavy doping on energy-band-structure parameters of various impurity-Si systems

The effects of impurity size and heavy doping on energy-band-structure parameters of various donor (or acceptor)-Si systems were investigated. A satisfactory description was obtained for intrinsic properties such as: the effective dielectric constant, effective impurity ionization energy, effective intrinsic band gap, being doping-independent, and critical impurity density, Ncn(cp)GMM, which is derived from our simple generalized Mott model (GMM), as well as for extrinsic properties such as: the Fermi energy, reduced band gap, optical band gap, being doping-dependent, and critical impurity density, Ncn(cp)SSS, which is determined by our complicated spin-susceptibility-singularity (SSS) method. That gives: Ncn(cp)SSS ≡Ncn(cp)GMM for all the studied donor (or acceptor)-Si systems.