Role of interlayer coupling in second harmonic generation in bilayer transition metal dichalcogenides
نویسندگان
چکیده
Little is known about the role of weak interlayer coupling in second harmonic generation (SHG) effects two-dimensional van der Waals (vdW) systems. In this article, taking homo-bilayer $MoS_2/MoS_2$ and hetero-bilayer $MoS_2/MoSe_2$ as typical examples, we have systemically investigated their SHG susceptibilities a function hopping strength using first-principles calculations. For at zero frequency limit both $MoS_2/MoSe_2$, although increase tint can intensities optical transitions (IOT), increased band repulsion around G point eventually decrease values; larger tint, smaller response. spectra low photon-energy region, opposite to $MoS_2/MoS_2$, peak values are very sensitive variable due strong $t_{int}$-dependent IOT dominating edge; SHG. high comparing will much more noticeable way $t_{int}$ increases, reduction nesting effect. Our study not only successfully explain puzzling experimental observations for different responses bilayer transition-metal dichalcogenides under but also may provide general understanding designing controllable vdW
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ژورنال
عنوان ژورنال: Physical review
سال: 2022
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.105.045415