Investigation of the interfacial thermal resistance of Cu/Ta heterostructure in the through glass via wafer

Abstract Three-dimensional integration has emerged as a promising solution to address the scaling constraints faced by conventional planar integration, in which through glass via (TGV) structures play a critical role in enabling high-density vertical interconnection. The interfacial heat transfer performance of heterostructures in the TGV wafer directly determines the performance and reliability of microelectronic devices. In this study, the temperature-dependent interfacial thermal resistance of Cu/Ta heterostructure in the TGV wafer is systematically predicted by non-equilibrium molecular dynamics simulations. The results show that there is a pronounced temperature drop at the interface due to the interfacial thermal resistance. The temperature distribution along the direction of heat transfer at lower temperatures shows a monotonically decreasing trend due to the absence of defects and structural phase transitions in the Cu/Ta heterostructure. However, high-temperature simulations indicate that a localized temperature fluctuation occurs in the Cu/Ta heterostructure due to defect formation and structural disorder within the Cu layer. With increasing temperature, enhanced atomic vibrations and diffusion promote heat transfer across the interface, thereby reducing the interfacial thermal resistance. These findings provide fundamental insight into the interfacial heat transport mechanisms of Cu/Ta heterostructure and offer theoretical guidance for optimizing thermal management in TGV-based microelectronic devices.