DOI: 10.17863/cam.59592
title: Research data supporting "Computational Study of Dipole Radiation in Re-absorbing Perovskite Semiconductors for Optoelectronics"

description: Excel file with tabs containing the data for each Figure in the paper: Figure 1: (c) Refractive index (N = n+jκ) and internal radiation spectrum of FAPbI3 perovskite used in the simulation. (d) Relative amounts of dipole energy (at m = 10 and λ = 800 nm) which are outcoupled, re-absorbed by emitter (Aact), or re-absorbed by parasitic layers (Apara), as a function of relative radial propagation vector kr/ks. For kr &gt; ks, the dipole is non-radiatively coupled with nearby parasitic absorbers (surface plasmon polariton (SPP) mode) or the emitter itself. (e) Fraction of photon propagation in various modes: outcoupling, re-absorption within escape cone, waveguide trapping, substrate trapping, and non-radiative parasitic dissipation (SPP), as a function of wavelength. The non-outcoupled radiative modes are split into Aact and Apara, depending on the final destination of photons. Figure 2: (b) Calculated direct outcoupling ratio of photons emitted in a perovskite LED, having a structure of glass (1 mm)/ ITO (150 nm)/ ZnO (30 nm)/ FAPbI3 perovskite (50 nm)/ TFB (40 nm)/ MoO3 (7 nm)/ Au (100 nm), for the calculations using various kr resolutions, represented by kr step over ks. c) Monochromatically (λ = 800 nm) calculated direct outcoupling ratio of photons emitted in a perovskite film, having a structure of glass (incoherent)/ perovskite (50 nm), assuming a complex perovskite refractive index of Ns = 2.55 + jκs. Figure 4: Simulation results for FAPbI3-based perovskite LEDs. (a) Relative ratio of the photon propagation through various modes of outcoupling, re-absorption within escape cone, waveguide trapping, substrate trapping, and non-radiative parasitic dissipation (SPP), as a function of perovskite thickness. The non-outcoupled radiative modes are split into Aact and Apara, depending on the final destination of photons. (b) Depth (z)-profile of internal radiation which is finally outcoupled (i.e. relative contribution to EQEmax), for LEDs with 10 nm-thick (grey), 30 nm-thick (red), 120 nm-thick (green), and 200 nm-thick (blue) perovskites. (c) The relative internal angular dipole intensity in perovskites LED with different emissive layer thickness (top) and relative intensity of horizontal dipole (Dx) over vertical dipole (Dz) monochromatically calculated in a single film (Ns = 2.55+0.068j at 800 nm). (d) Calculated LEE (= EQE / ηinj ηrad) as a function of internal radiation efficiency (ηrad). (dashed line: ray-optics limit of 1/2n2) e) EQEmax for the LED at a single wavelength of 800 nm with n = 2.55 and various κ values of the 200 nm-thick perovskite emissive layer. Figure 5: Variation of TFB optical spacer (between perovskite and MoO3/Au) thickness in a perovskite LED having a 50 nm-thick FAPbI3 as an emissive layer. a) Relative ratio of the photon propagation through various modes as a function of TFB thickness. b-c) Relative external emission as a function of angle in the air mode for various wavelengths, for b) 40 nm and c) 320 nm-thick TFB layers. Figure 6: Calculated mode fractions and EQEmax for perovskite LEDs varying (a) ZnO thickness and (c-d) luminescence spectrum, depicted in (b). Perovskite thickness is 50, 30, 200 nm, for a), c), d), respectively.