Interstice states of transition metal impurities in silicon

Physico-chemical model for solution of transition metal impurities (Sc, V, Y, Zr, Nb, Mo, Tc, Ru, La, Hf, W among them) in silicon in interstitial position which basis are represented by concepts about interaction potentials of impurity atom with crystal lattice atoms is suggested. Effect of crystal field on electron configurations of the impurity d-atoms, local distortions of crystal lattice, polarization of lattice in case of ionized state of impurity atom are considered. Model enables to calculate solution enthalpy and to determine preferred charge states of transition metal impurities in silicon lattice interstitials