Outcoupling and Loss Split versus OLED Emitter Position

Nowy et al. (2008): the six power channels of an emitter-position scan at a fixed 160 nm TPD-plus-Alq3 thickness (Figure 12)
AuthorLuke Cole

Light extraction and optical loss mechanisms in organic light-emitting diodes: Influence of the emitter quantum efficiency

Authors: Stefan Nowy, Benjamin C. Krummacher, Jörg Frischeisen, Nils A. Reinke, and Wolfgang Brütting

Journal: Journal of Applied Physics 104(12), 123109 (2008) · Comparison target: Figure 12

Move the recombination zone a few tens of nanometres between two organic layers of the same OLED stack and forward emission goes from just above 1% to 4.4%. The extra power does not disappear — it moves into the surface plasmon at the cathode and into the guided modes of the organic layers.

This case fixes the combined TPD and Alq3 thickness at 160 nm, walks the emission plane from the Ca cathode side to the ITO anode side over 29 runs, and reproduces the five power curves of paper Figure 12.

The published figure is not reproduced here: commercial reuse permission for Figure 12 has not been granted. View it in the original at DOI 10.1063/1.3043800; a free author copy is available from the University of Augsburg repository. Every value labelled "paper" below is a data point read off the original independently; the figure itself is neither copied nor redrawn.

Direct emission peaks at x70x\approx70 nm with 4.40%, the sum of direct and substrate emission peaks further out at x85x\approx85 nm with 10.58%, and the plasmon channel falls monotonically from 49.7% at x=10x=10 nm. Here xx is the Alq3 thickness, which is also the distance from the emission plane to the Ca cathode.

Background

The distance from the emission plane to the metal cathode decides where the energy goes. Too close, and the dipole couples straight into the cathode surface plasmon; at the right distance, more light escapes through the anode side. Nowy et al. fix the combined TPD and Alq3 thickness and change only how it is divided, so the emission plane moves while the total stack thickness stays put, and all six power curves fit on one chart.

The Mode result splits channels by the effective index that corresponds to the in-plane wavevector, matching the paper's curves one to one:

Dreapex TMM channelEffective-index rangePaper curve
Top Outcouplingneff<1n_{\mathrm{eff}}<1, crossing the glass–air interfaceemission
Substrate1neff<nglass1\le n_{\mathrm{eff}}<n_{\mathrm{glass}}emission to substrate
Waveguidenglassneff<nAlq3n_{\mathrm{glass}}\le n_{\mathrm{eff}}<n_{\mathrm{Alq3}}waveguiding
EvanescentneffnAlq3n_{\mathrm{eff}}\ge n_{\mathrm{Alq3}}plasmons
AbsorptionPower left in the propagating region that never crosses an outer boundaryabsorption
Non-radiativeNo wavevector rangeall other

nglassn_{\mathrm{glass}} and nAlq3n_{\mathrm{Alq3}} are the refractive indices of the glass substrate and the Alq3 layer. The six channels sum to the effective quantum efficiency, with the rest in the non-radiative channel. Moving the emission plane changes the Purcell factor, so every curve shifts at once.

Structure

The stack runs from the air incidence side to the Al cathode. TPD plus Alq3 always equals 160 nm; the scan changes both together.

Given in the paperLayer in the modelThickness
AirIncidence medium, n=1n=1Semi-infinite
BK7 glass substrate (thickness not stated)Glass substrate, incoherent1 mm
ITO anodeITO140 nm
PEDOT:PSSPEDOT:PSS30 nm
TPD hole-transport layerTPD160x160-x nm
Alq3 emitting and electron-transport layerAlq3, emissivexx nm
CaCa15 nm
Al cathodeAl100 nm

Glass is the only incoherent layer and defines the substrate channel; it does not absorb, so its exact thickness does not matter. The 100 nm Al transmits essentially nothing, and bottom outcoupling measures 0.0000% in every run.

The paper publishes refractive indices only at 450 nm and 700 nm, with no full dispersion curve. The model uses published dispersion data for the same materials, resampled at 10 nm steps over 400–790 nm, with no scaling or shifting. At the two published endpoints:

MaterialPaper 450 nm700 nmUsed hereDifference
BK7 glassnn 1.53 → 1.511.525 → 1.513≤ 0.005
ITOnn 2.02 → 1.822.019 → 1.822≤ 0.002
PEDOT:PSSnn 1.61 → 1.561.543 → 1.496−0.065
TPDnn 1.80 → 1.681.818 → 1.710≤ 0.030
Alq3nn 1.81 → 1.69, k<0.06k<0.061.813 → 1.702, k(450)=0.028k(450)=0.028≤ 0.012
Cann 0.50 → 0.65; kk 1.69 → 2.79nn 0.587 → 0.680; kk 1.679 → 2.740k0.05k\le0.05
Alnn 0.49 → 1.48; kk 4.60 → 6.98nn 0.488 → 1.481; kk 4.604 → 6.975≤ 0.004

Six of the seven materials match at both endpoints to within 0.03. The one clear outlier is PEDOT:PSS, 0.065 low in nn, which is a formulation difference; that layer is only 30 nm thick, so the optical-path error is about 2 nm.

The structure page for the baseline device at x=80x=80 nm. Only the TPD and Alq3 rows change during the scan, and the incoherent flag on the glass substrate must stay on:

Optical and Emitter Settings

The emitter sits in the Alq3 layer against the TPD side, with the paper's isotropic orientation and q0=0.20q_0=0.20.

SettingValueBasis
Emissive layerAlq3The paper places an infinitely thin recombination zone at the TPD/Alq3 interface
Distribution and positionDelta, relative position 0.005A Delta emitter must lie strictly inside the layer, so the interface coordinate 0 is rejected; 0.005 puts the dipole 0.05 nm (x=10x=10) to 0.75 nm (x=150x=150) from the interface
Dipole orientationIsotropicThe paper weights two parts parallel to one part perpendicular
Emission spectrumAlq3 PL, 410–790 nm / 5 nm, peak 535 nmDigitized independently from paper Figure 2
Spectrum UnitProbability (channel fractions); Power (angle-resolved spectra)The two settings differ by at most 0.19 percentage points across the six channels at x=80x=80 nm
Quantum efficiency q0q_{0}0.20Published value
Conversion efficiency / multiplier1 / 1Optical split only

The three comparison figures share this one structure and differ only in the emission detector:

Comparison targetEmission detectorWavelength settingOther settings
Figure 12 and the channel budgetModeWeighted Average, 420–780 nm, step 10 nm
Figure 7 angle-resolved spectraIntensitySweep, 420–780 nm, step 2 nmAngles 0–88°, step
Figure 6 power-dissipation cross-sectionPower DissipationSingle, 525 nmEffective index 0–3.5, step 0.002

The Mode detector settings used for the main comparison:

Each of the 29 positions in Figure 12 (x=10x=10 to 150 nm, step 5 nm) is a separate Run.

The 780 nm upper limit comes from the coverage of the TPD dispersion data (400–790 nm). The PL area outside the window is only 0.13% and does not affect the spectrally weighted result.

Simulation Results and Comparison with Figure 12

Emitter-position scan

Paper Figure 12 is in the original article.

Paper readings (dashed) and the 29 runs (solid) on the same axes:

Paper readings and Dreapex TMM results for the six channels on one set of axes, plotted against Alq3 thickness
Readings from paper Figure 12 (dashed) and the 29 real Dreapex TMM runs of this case (solid) on one vertical scale. Both direct-emission curves peak at 70 nm.Paper values digitized independently from Nowy et al. Figure 12; Dreapex TMM values from the real runs in this caseCC BY 4.0 (licence of this comparison chart)

Three features can be checked digit by digit:

QuantityPaperThis runDifference
Position of the direct-emission peak70 nm70 nm0 nm
Direct-emission peak value4.40%4.37%0.03 percentage points
Position of the direct-plus-substrate peak85 nm85 nm0 nm

Point-by-point absolute differences per channel, in percentage points:

Window and statisticEmissionSubstrateEmission + substrateWaveguidePlasmonAbsorption
30–140 nm maximum0.331.751.651.4812.441.24
30–140 nm RMS0.111.301.260.953.361.06
10–150 nm maximum0.921.752.222.1143.691.31

The emission, substrate, and waveguide curves track point by point across the whole window. The large plasmon differences sit at the end where the emission plane approaches the metal; see below.

The Mode result at the peak position, with 4.368% top outcoupling, 7.400% substrate, and a Purcell factor of 1.492:

Channel budget of the baseline device

The paper publishes a six-channel budget for the baseline device at x=80x=80 nm. The run at the same position:

ChannelPaperThis runDifference
Top outcoupling4.2%4.19%−0.01 percentage points
Substrate6.3%7.98%+1.68 percentage points
Waveguide3.0%2.26%−0.74 percentage points
Evanescent (plasmon)9.5%8.76%−0.74 percentage points
Absorption3.3%2.13%−1.17 percentage points
Non-radiative73.6%74.69%+1.09 percentage points

The largest difference, 1.68 percentage points, is in the substrate channel; top outcoupling matches almost digit for digit. This run has a Purcell factor of 1.356 and an effective quantum efficiency of 0.2531, which with the 0.7469 non-radiative channel sums to 1.0000.

Do not compare the end where the emission plane approaches the Ca cathode (x35x\le35 nm) point by point. The paper folds Förster-type lossy-surface-wave coupling into its SPP channel there, which is a different channel definition: at x=10x=10 nm the paper gives 49.7% and this run gives 93.4%. Checked against the analytic near-field limit for an Alq3/Ca interface, the value at 10 nm should be 64.08; this run gives 63.53 and the paper curve implies 5.04. Real devices operate far from this range.

Mode positions and polarization

The channel split depends on where each mode sits on the effective-index axis, and paper Figure 6 gives a 525 nm power-dissipation cross-section for checking them one by one. Switch the detector to Power Dissipation:

The resulting cross-section shows the substrate region, two device waveguide modes, and the surface plasmon in order:

FeaturePaper neffn_{\mathrm{eff}}This run neffn_{\mathrm{eff}}DifferencePolarization herePaper's identification
Substrate-region maximum1.4041.412+0.008TEMatches; the paper calls the substrate mode TE
Device waveguide mode 11.6881.682−0.006TMMatches
Device waveguide mode 21.7551.758+0.003TEMatches
Surface plasmon2.1062.116+0.010TMMatches; the paper calls the SPP always TM

All four mode positions agree to within 0.010, and all four polarization assignments match. Peak heights are not compared: the displayed height of a sharp guided-mode resonance depends on the wavevector sampling step.

Angle-resolved emission spectra

Paper Figure 7 gives s- and p-polarized angle-resolved emission spectra for this device. Switch the detector to Intensity and set the wavelength and angle ranges:

Normalized emission spectra versus angle, where the s-polarized band centre shifts clearly to the red:

The spectrally integrated angular distribution, each polarization normalized to 0°:

QuantityPolarizationMaximum differenceRMS difference
Band centre (0–80°)s2.8 nm2.3 nm
Band centre (0–80°)p2.9 nm2.0 nm
Normalized angular distributions4.78% (at 80°)1.54%
Normalized angular distributionp2.24% (at 50°)1.32%

The trend of the band centre is reproduced as well: the paper's s polarization shifts from 556 nm at 0° to 570 nm at 80°, this run gives 553572 nm; for p the paper gives 555558 nm and this run 553557 nm. That s/p asymmetry is the origin of the colour stability the paper highlights.

Deviation Notes

The paper publishes refractive indices only at two endpoints, so the substitute dispersion data in the table are assumed inputs. PEDOT:PSS runs 0.065 low in nn, which shifts the cavity phase slightly.

The paper's emission plane is an ideal infinitely thin sheet. The model approximates it with a Delta emitter at a relative position of 0.005, which shortens the dipole-to-cathode distance systematically by 0.05 to 0.75 nm.

q0=0.20q_{0}=0.20 is the paper's input value and is used as published; absolute outcoupling efficiency scales linearly with it. The comparison is against the paper's calculated curves, not its measured ones.

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