1Department of Physics and Structural Research Laboratory, University of Science and Technology of China, Hefei 230026
2Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026
3Department of Physics, Huazhong Normal University, Wuhan 430070
Electronic Structure of Si-C Alloys
LI Yongping1;ZHANG Haifeng2;HUANG Xintang3
1Department of Physics and Structural Research Laboratory, University of Science and Technology of China, Hefei 230026
2Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026
3Department of Physics, Huazhong Normal University, Wuhan 430070
Abstract: 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].