In our previous paper (Phys. Rev. B {\bf 89}, 165430 (2014)) we have foundthat in graphene, in distinction to the four occupied bands, which can bedescribed by the simple tight-binding model (TBM) with four atomic orbitals peratom, the two lowest lying at the $\Gamma$-point unoccupied bands (one of themof a $\sigma$ type and the other of a $\pi$ type) can not be described by suchmodel. In the present work we suggest a minimalistic model for these two bands,based on (nearly) free electrons model (FEM), which correctly describes thesymmetry of these bands, their dispersion law and their localization withrespect to the graphene plane.
展开▼
机译:在我们之前的论文(Phys。Rev. B {\ bf 89},165430(2014))中,我们发现在石墨烯中,与四个占据带不同,这可以通过简单的紧束缚模型(TBM)用四个原子轨道peratom,位于$ \ Gamma $点的未占用带中的最低两个(其中一个为$ \ sigma $类型,另一个为$ \ pi $类型)无法用此类模型描述。在目前的工作中,我们建议基于(几乎)自由电子模型(FEM)来针对这两个谱带的简约模型,该模型正确描述了这些谱带的对称性,其色散规律以及它们相对于石墨烯平面的定位。
展开▼