While various methods have been proposed to modulate interfacial heat transport in semiconductors and metals, the intrinsic mechanisms by which twist angle affects interfacial thermal conductance (ITC) remain inadequately understood. This paper investigates the impact of twist angle variations on the ITC of atomic-scale Si/Si and Al/Al interfaces across different temperatures. The findings demonstrate that at large twist angles, the overlapping area of the phonon density of state at the interface diminishes, and the degree of phonon coupling weakens, thereby reducing the ITC. Besides, as the degree of interface mismatch improves, the interlayer distance gradually increases, further decreasing heat transfer efficiency. We also discover that high temperatures can facilitate heat transport across the interface. The reason is that high temperature excites more long-wave phonons to transfer heat, and the degree of interface phonon coupling is enhanced, thereby enhancing the ITC. Further investigation reveals that the reduction in phonon participation rate originates from the decrease in ITC at large twist angle or low temperature.
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