Effect of Defect Type on Structural Strength and Thermal Properties of Si/Ti, Ti/Au, Ti/Au, and Au/Au Interfaces

With the continuous advancement of chip integration technology, the power density of microelectronic devices has steadily increased, leading to a sharp rise in the internal temperature of the chip. The relative lack of thermal conductivity of conventional solders has seriously hindered the effective heat dissipation from the chip interior to the environment, leading to the intensification of potential thermal reliability problems in the internal structure of advanced packages. Currently, the bonded thermal structure with Ti/Au, Ti/Cu, etc. as the intermediate layer is one of the effective solutions to cope with the problem of high heat flow dissipation inside high-density packages, and it is widely used in Si/Diamond and other structures. However, there are still few in-depth studies on their interfacial reliability. In structural degradation processes such as Si/Diamond, the nature of the structural properties and structures undergoing degradation is the generation and evolution of defects at their bonding and deposition interfaces. The presence of defects leads to the discrepancy between microscopic properties such as the overall electronic structure and the ideal state, thus affecting the macroscopic properties of the material. In order to reveal the effects of different defect types on the strength and properties of bonded interfaces and each deposition interface, the effects of typical point defects on the mechanical strength of the interface as well as the thermal resistance of the interface at Si/Ti, Ti/Au, Ti/Cu, and Au/Au interfaces are analyzed based on the first nature principle and principles of molecular dynamics in the present work, which provides the theoretical basis and design enhancement for the reliability evaluation and design enhancement of the bonded heat dissipation structures using Ti/Au, Ti/Cu, etc. as interlayers. Data support.