论文标题
扭曲的磷光双层的Moiré带结构
Moiré band structures of twisted phosphorene bilayers
论文作者
论文摘要
我们报告了表现出Moiré模式的扭曲的磷酸二聚体的理论电子光谱，这是通过与MoiréSuperlatticeHamiltonian连续近似计算得出的。我们的模型是通过在有效的$γ$ - 点传导 - 和价频段汉密尔顿人之间进行插值来构建的，用于大约在MoiréSupercell上实现的不同堆叠配置，该配置在对称地面上配制了。我们预测了$γ$ - 点电子的三个不同策略和不同扭曲角度范围的孔的实现：小扭曲角度的哈伯德式$θ<2^\ circ $，其中电子状态形成量子点状阵列，一个类似于量子点的状态，一个每个moirésupercell;中间扭转角的tomonaga-luttinger策略$ 2^\ Circ <θ\ Lessim 10^\ Circ $，其特征是Quasi-1d状态的阵列出现；最后，在大扭曲角度上的弹道制度$θ\ gtrsim 10^\ circ $，其中带边缘状态被定位，分散各向异性由扭曲角度调节。我们的方法根据大规模从头算的计算正确地重现了最新结果，计算成本较低，并且对所考虑的扭曲角度的限制更少。
We report on the theoretical electronic spectra of twisted phosphorene bilayers exhibiting moiré patterns, as computed by means of a continuous approximation to the moiré superlattice Hamiltonian. Our model is constructed by interpolating between effective $Γ$-point conduction- and valence-band Hamiltonians for the different stacking configurations approximately realized across the moiré supercell, formulated on symmetry grounds. We predict the realization of three distinct regimes for $Γ$-point electrons and holes at different twist angle ranges: a Hubbard regime for small twist angles $θ< 2^\circ$, where the electronic states form arrays of quantum-dot-like states, one per moiré supercell; a Tomonaga-Luttinger regime at intermediate twist angles $2^\circ < θ\lesssim 10^\circ$, characterized by the appearance of arrays of quasi-1D states; and finally, a ballistic regime at large twist angles $θ\gtrsim 10^\circ$, where the band-edge states are delocalized, with dispersion anisotropies modulated by the twist angle. Our method correctly reproduces recent results based on large-scale ab initio calculations at a much lower computational cost, and with fewer restrictions on the twist angles considered.
