2013/10/03 by Mads Lund Trolle, Mads L. Trolle, Gotthard Seifert +1 · 144 citations
Engineering · Materials Science · Physics and Astronomy · #2D Materials and Applications #Atomic physics #Condensed matter physics #Exciton #Harmonic #Order (exchange) #Perovskite Materials and Applications #Physics #Position (finance) #Quantum mechanics #Resonance (particle physics) #Strong Light-Matter Interactions #cond-mat.mes-hall
paper · pdf · doi:10.1103/physrevb.89.235410
published in Physical Review B 89(23) (American Physical Society)
arxiv created 2013/10/03 · openalex publication_date 2014/06/10 · arxiv updated 2014/06/18 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Recent experimental results have demonstrated the ability of monolayer MoS2 to efficiently generate second harmonic fields with susceptibilities between 0.1 and 100 nm/V. However, few theoretical calculations exist with which to interpret these findings. In particular, it is of interest to theoretically estimate the modulus of the second harmonic response since experimental reports on this differ by almost three orders of magnitude. Here, we present calculations of the second harmonic response based on a tight-binding band structure and implementation of excitons in a Bethe-Salpeter framework. We compare directly with recent experimental findings demonstrating a good agreement with the excitonic theory regarding, e.g., peak position. Furthermore, we predict an off-resonance susceptibility on the order of 0.1 nm/V, while on-resonance values rise to 4 nm/V.