Problems

The concise problems are proposed in this chapter, which are closely related to the main-stream materials and the suitable calculation methods. Specifically, they are designed for the junior researchers and the graduate-level physics courses, being consistent with the quasiparticle behaviors in the previous chapters. These problems include the optimal crystal structures of 1D tinene/plumbene nanoribbons, double-walled group-IV systems, with the coaxial hollow cylinders, binary and ternary BxCyNz-related compounds, and ternary and quaternary lithium compounds play the critical roles in the anode/electrolyte/cathode materials of Li+-based batteries. In addition, more advanced problems are also provided, such as the reliable parameters of the tight-binding model for the emergent materials, the ballistic transport of 1D materials between two heat reservoirs with bias voltage and different difference, the diverse optical excitations of graphene-related 3D/2D/1D materials, and the excitonic effects in carbon nanotubes/graphene nanoribbons and graphene systems by using the first-principles simulations.