General theoretical description of angle-resolved photoemission spectroscopy of van der Waals structures

Article

关键词: DOUBLE-LAYER GRAPHENE;    ELECTRONIC-STRUCTURE;    BILAYER MOS2;    HETEROSTRUCTURES;    FORMULATION;    TRANSITION;    ORBITALS;    METALS;    TWIST;    WAVE;   

DOI  :  10.1103/PhysRevB.97.165414

来源: SCIE

【 摘 要 】

We develop a general theory to model the angle-resolved photoemission spectroscopy (ARPES) of commensurate and incommensurate van der Waals (vdW) structures, formed by lattice mismatched and/or misaligned stacked layers of two-dimensional materials. The present theory is based on a tight-binding description of the structure and the concept of generalized umklapp processes, going beyond previous descriptions of ARPES in incommensurate vdW structures, which are based on continuous, low-energy models, being limited to structures with small lattice mismatch/misalignment. As applications of the general formalism, we study the ARPES bands and constant energy maps for two structures: twisted bilayer graphene and twisted bilayer MoS2. The present theory should be useful in correctly interpreting experimental results of ARPES of vdW structures and other systems displaying competition between different periodicities, such as two-dimensional materials weakly coupled to a substrate and materials with density wave phases.

【 授权许可】

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