报告题目 | Moire bands and electronic properties of graphene on hexagonal boron nitride |
报告人 | Dr. Jeil Jung |
报告人单位 | Department of Physics, University of Seoul, Korea |
报告时间 | 2016-12-19 |
报告地点 | 合肥微尺度物质科学国家实验室九楼会议室(9004) |
主办单位 | 合肥微尺度物质科学国家实验室、国际功能材料量子设计中心(ICQD) |
报告介绍 | Abstract:
When atomically thin two-dimensional materials are layered, they often form incommensurate noncrystalline structures that exhibit long-period moire patterns when examined by scanning probes. In this talk I present a methodology that uses information obtained from ab initio calculations performed on short-period crystalline structures to derive effective Hamiltonians that are able to efficiently describe the influence of the moire pattern superlattices on electronic properties. We applied our approach to obtain the Hamiltonian of graphene on hexagonal boron nitride (G/BN) that can be used to calculate electronic properties of interest for arbitrary twist angles and lattice constants. We show that our multiscale approach can be used to obtain electronic structure models that have predictive accuracy, and that moire strains can play an important role in reconfiguring the mechanical and electronic properties of G/BN such as its band gap. The bridge between the continuum and the lattice Hamiltonian established by our theory can be used in realistic simulations of G/BN subject to disorder or perpendicular magnetic fields.
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