ELECTRONIC-STRUCTURE OF SI-C ALLOYS

We have systematically studied the electronic structure of the ordered Si-C alloys, fourteen models were created according to the different carbon contents. The linear muffin-tin orbitals method was used to cal culate their energy band informations. The functional relation of band gap upon carbon contents conflicts with the point of view of Soref [J . Appl. Phys. Lett. 56 (1990) 734], but agrees well with that of Alexa nder's [Phys. Rev. B 48 (1993) 2207].