论文标题
拓扑系统的真实空间表示:扭曲的双层石墨烯作为一个例子
Real space representation of topological system: twisted bilayer graphene as an example
论文作者
论文摘要
我们为扭曲的双层石墨烯构建一个幻想基础,该石墨烯仅来自扭曲的双层平面带的Bloch函数。 $ C_3 $和$ C_ {2} \ Mathcal {T} $ symmetries在Wannier函数上作用,而Wannier函数电荷密度密度在三角形位点上最高峰值,并在手势限制中完全sublattice偏离。由于拓扑障碍,瓦尼尔功能具有幂律尾巴,但是大多数电荷密度集中在一个晶胞中,因此现场局部库仑相互作用大得多,大得多,通常可以从适中数量的水位功能中准确地估计哈密顿参数。一个例外是单粒子哈密顿式的动量空间成分,因为拓扑阻塞在整个布里鲁因区域都不均匀。但是,我们观察到,在量子嵌入方法的背景下,可以使用混合位置和动量空间表示形式来避免这种困难。我们的工作为研究系统提供了拓扑障碍的新途径,并为未来研究双层石墨烯中相关状态的未来研究铺平了道路,包括研究非整数填充物和温度依赖性。
We construct a Wannier basis for twisted bilayer graphene that is projected only from the Bloch functions of the twisted bilayer flat bands. The $C_3$ and $C_{2} \mathcal{T}$ symmetries act locally on the Wannier functions while the Wannier function charge density is strongly peaked at the triangular sites and becomes fully sublattice-polarized in the chiral limit. The Wannier functions have a power-law tail, due to the topological obstruction, but most of the charge density is concentrated within one unit cell so that the on-site local Coulomb interaction is much larger than the further neighbor interactions and in general the Hamiltonian parameters may be accurately estimated from a modest number of Wannier functions. One exception is the momentum space components of the single-particle Hamiltonian, where because of the topological obstruction convergence is non-uniform across the Brillouin zone. We observe, however, that mixed position and momentum space representations may be used to avoid this difficulty in the context of quantum embedding methods. Our work provides a new route to study systems with topological obstructions and paves the way for the future investigation of correlated states in twisted bilayer graphene, including studies of non-integer fillings and temperature dependence.