Electronic structure of phase interface diffusion reaction layer of Ti-Al laminar composites

Ti-Al laminar composites were prepared by hot-pressing diffusion bonding method.Hot-pressing diffusion bonding was conducted under different bonding temperature conditions, and the reaction products and electronic structure features of the diffusion reaction layer of Ti-Al diffusion couple were texted by SEM, EDS, XRD and first-principle based on density functional theory (DFT).The results show that when the bonding temperature is not less than 560 ℃, the main reaction products of the phase interface diffusion reaction layer of Ti-Al diffusion couple are intermetallic compound Al₃Ti.The pseudo gap of total density of state (TDOS) of Al₃Ti is 2.8 eV, and the pseudo gap of partial density of state (PDOS) of adjacent Al and Ti atom is also 2.8 eV, the covalent bond of intermetallic compound Al₃Ti is less, but the metal bond is more.Therefore, Al₃Ti shows more metal characteristics, and it has good electrical conductivity, which is a basis as a novel electrode material for Ti-Al laminar composites.