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 calculate 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 Alexander's Phys. Rev. B 48 (1993) 2207.