Fig. 6: Comparison of the total emission rates calculated using three different wave function approximations: particle in a box states, in-plane averaged DFT wave functions (1D DFT), and the full 3D DFT wave functions. | Nature Communications

Fig. 6: Comparison of the total emission rates calculated using three different wave function approximations: particle in a box states, in-plane averaged DFT wave functions (1D DFT), and the full 3D DFT wave functions.

From: Combining density functional theory with macroscopic QED for quantum light-matter interactions in 2D materials

Fig. 6

a, b Comparison of the total emission rates calculated with the different wave function approximations for a 2-layer and 5-layer WSe2 quantum well, respectively. Additionally, the dashed red line in (a) shows the rates calculated using the particle in a box wave functions scaled by the square of the ratio between the transition dipole moments calculated with the full 3D DFT wave functions and the particle in a box wave functions. The field enhancement profiles in red for the plasmon with in-plane wave vector q = 0.2 nm−1 (c) and q = 1.21 nm−1 (d). The latter corresponds to the wave vector for horizontal transitions, qhz, of the 5-layer WSe2 QW. The simple particle in a box wave function is shown by the dashed black line and the 1D DFT wave function is shown in blue.

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