Chemical Bond and Property of TiC-TiB(2) Composite

The relation among electronic structure, chemical bond and properties of TiC-TiB(2) composite was studied by the first principle method. The ionic interaction between the ions in the interface of the TiC-TiB(2) composite is stronger than that of the inner ions or of the related single phase. There is stronger covalent interaction between the ions in the interface of the TiC-TiB(2) composite. There are differences of densities of state (DOS) among of TiC-TiB(2) composite and related single phases as the interaction between of TiB(2) and TiC phases. The width of DOS for interface Ti 3d is obviously larger than that of corresponding TiB(2) or TiC phase, as the interaction between Ti 3d in interface and others is larger than that between Ti 3d in TiB(2) or TiC phase and others.