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 th...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].展开更多
文摘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].
