Nanoscience and Computational Physics Laboratory

Nanoscience and Computational Physics Research Group mainly studies the electronic, optical, and transport properties of nanomaterials and single crystal materials. The main investigated systems include two-dimensional composite graphene systems and tungsten bronze. The theoretical methods applied to calculations include the VASP and Wannier90 programs based on the density functional theory and the tight-binding model calculation. The former two methods are introduced to decide the stable structure of studied materials and calculate the energy bands, density of states, and dielectric constants; the last method is mainly applied to investigate the physical properties of external fields (uniform electric/magnetic fields, modulated electric/magnetic fields, and composite fields) after obtaining the tight-binding parameters from the VASP and Wannier90 calculations. In addition, the high-efficiency cluster constructed from 5 workstations combined with the InfiniBand parallel hardware is used for the theoretical calculations.

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