Kagome 与 Pyrochlore 晶格上由轨道间反对称跃迁产生的平带
Interorbital Antisymmetric Hopping Generated Flat Bands on Kagome and Pyrochlore Lattices
AI总结:
本文提出基于位点对称性的共同本征态方法,在 Kagome 和 Pyrochlore 晶格上由轨道间反对称跃迁产生多轨道平带,并用群论描述其波函数,为关联与拓扑量子态研究开辟新方向。
摘要:
平带是关联物理与拓扑物理中引人注目的平台。人们已经发展了多种利用晶格几何构造平带的方法,但对多轨道材料中轨道对称性的研究是一个新的关注领域。在此,我们引入一种基于位点对称性的方法,用于在 Kagome 和 Pyrochlore 晶格上产生新兴的多轨道二维和三维平带。作为一个概念性进展,我们证明单轨道平带来源于孤立分子基元的共同本征态。进一步将共同本征态方法推广到在位点对称性下具有不同变换性质的多个轨道,我们从反对称轨道间哈密顿量推导出由轨道间跃迁产生的平带,并引入平带波函数的群论描述。在 Slater-Koster 形式体系中,我们证明在现实材料中实现多轨道平带是可能的。我们的发现为探索平带电子结构以实现新型关联和拓扑量子态提供了新方向。
英文摘要:
Flat bands are intriguing platforms for correlated and topological physics. Various methods have been developed to create flat bands utilizing lattice geometry, but the investigation of orbital symmetry in multiorbital materials is a new area of focus. Here, we introduce a site symmetry based approach to emerging multiorbital 2D and 3D flat bands on the kagome and pyrochlore lattices. As a conceptual advance, the one-orbital flat bands are shown to originate as mutual eigenstates of isolated molecular motifs. Further developing the mutual eigenstate method for multiple orbitals transforming differently under the site symmetries, we derive interorbital hopping generated flat bands from the antisymmetric interorbital Hamiltonian and introduce group-theoretic descriptions of the flat band wavefunctions. Realizations of multiorbital flat bands in realistic materials are shown to be possible in the Slater-Koster formalism. Our findings provide new directions for exploring flat band electronic structures for novel correlated and topological quantum states.
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