低维纳米结构的热输运性质分析-凝聚态物理专业论文.docx

II II Abstract The research on the thermal transport in low-dimensional nanomaterials is a new subject for both theoretical significance and potential applications. The relevant study can help us to solve the serious heat dissipation problems in ever-smaller integrated circuits, improve the effect of thermal insulation in high power engines, fabracate thermoelectric materials high efficiency, and design novel thermal management devices. In this thesis, by using the Nonequilibrium Green’s function (NEGF) method, the quantum thermal transport in some typical low-dimensional nanostructures is studied systematically. The results could provide useful guidelines for the applications and performance improvements. The primary coverage of this thesis is as follows: Thermal transport properties of isotopic-superlattice graphene nanoribbons with zigzag edge (IS-ZGNRs) are investigated. We find that by isotopic superlattice modulation the thermal conductivity of graphene nanoribbon can be reduced significantly. The thermal transport property of the IS-ZGNRs strongly depends on the superlattice period length and the isotopic mass. As the superlattice period length decreases, the thermal conductivity undergoes a transition from decreasing to increasing. This unique phenomenon is explained by analyzing the phonon transmission coefficient. While the effect of isotopic mass on the conductivity is monotonic, namely larger mass difference induces smaller thermal conductivity. In addition, the influence of geometry size is also discussed. Graphene nanojunctions (GNJs) are important components of future nanodevices and nanocircuits. Using the NEGF method, we investigate the phononic properties of three-terminal GNJs (TGNJs). The results show that the heat flux runs preferentially along the direction from narrow to wide terminals, presenting an evident ballistic thermal rectification effect in the asymmetric TGNJs. The rectification efficiency is strongly dependent on the asymmetry of