(Invited) Thermal Transport in 2D Materials from First Principles: The Role of Interface and Substrate

摘要

The persistent down-scaling of nanostructures, such as electronic devices, sensors, NEMS, and nanocomposites, increases the surface-to-volume ratio and introduces atomic-scale disorder at boundaries and interfaces. To avoid these issues, the nanoelectronics community has turned to intrinsically two-dimensional (2D) materials platforms. 2D materials have tremendous potential for next-generation nanoelectronics beyond the 5 nm technology node due to their atomic flatness and absence of dangling bonds, which prevents scattering from interface roughness. However, heat dissipation and its removal from hot spots in the monolayer remains a critical concern to the design of 2D-based devices. Thermal currents flowing in an atomic layer can either dissipate through source/drain contacts in a transistor configuration, or through a supporting substrate via van der Waals (vdW) coupling to it. When a 2D material is supported by a substrate, the interfacial area formed between it and the substrate is often far larger than the lateral source/drain contact area. Thus, the majority of waste heat is removed across the 2D-substrate interface and then via the substrate.