Organic Device Simulation Using Silvaco Software

Organic Device Simulation Using
Silvaco Software
Silvaco Taiwan
September 2005
Organic Devices Simulation: Contents
Introduction – Silvaco TCAD Simulator

Theory – Models
OTFT Simulation v.s Measurement
OLED Simulation v.s Measurement
Bilayer TPD/Alq3 OLED Example
Transient Simulation of OLED Pixel
Summary
Organic Device Simulation Using Silvaco Software

Organic Devices Simulation: Silvaco’s TCAD
Software
ATHENA - 2D Process Simulator

ATLAS – Device Simulator
SPisces – Silicon material Drift-Diffusion Simulator
Blaze – Hetero-interfaces (Compound Semiconductor) Materials
Simulator
TFT – a-Si/poly-Si TFT Device Simulator
OTFT – Organic TFT Simulator
OLED – Organic Light Emitting Diode Simulator

Organic Devices Simulation: Transport Mechanisms
Metal & Semiconductors: charge transport is limited by

scattering of the carriers, mainly due to thermally induced
phonons and lattice deformations. Transport is limited by phonon
scattering. Charge mobility decreases with temperature
Organic materials: transport occurs by phonon assisted hopping
of charges between localized states. Charge mobility increases
with temperature
General mobility model of organic material :
Poole-Frenkel field-dependent mobility

Organic Devices Simulation: Organic Transport
TheoryFor Simulation
Charge Injection (metal contact)

Ohmic (Dirichlet boundary condition)
Schottky contact (injection limited current) :
thermionic emission model - tunneling
interface barrier lowering
Transport model(bulk)
Band-like transport model (organic molecular crystals: pentacene,
tetracene) at low T.
Space-Charge-Limited Current(SCLC): Poisson + Current continuity
equations
Hopping transport in disordered organic semiconductor
Density of States
Poole-Frenkel Mobility

Organic Devices Simulation: Classical Theory Of
Charge Transport – Drift Diffusion Model
Poisson Equation
Current Continuity Equations
Drift Diffusion Equations

Organic Devices Simulation: Density Of State &
Trapped Charge – Organic Defects
Density Of States (DOS)
Trapped Charge

Organic Devices Simulation: Organic Defects
Probability of Occupation
Steady State: Recombination/Generation
(SRH)

Organic Devices Simulation: Poole-Frenkel Mobility
Models

Organic Devices Simulation: Langevin
Recombination Rate & Exciton Rate Equations
Langevin Radiative Rate
Singlet Exciton

Organic Devices Simulation: Langevin Recombination
Rate & Exciton Rate Equations (con’t)
Triplet Exciton
where

ATLAS – Organic Device Simulation: Mobility
Simulation
Time-of-flight(TOF) method
SCLC method
Field Effect Transistor(FET) method

ATLAS – Organic Device Simulation
Measurement vs. Simulation
p-0.62
Density of States

ATLAS – Organic TFT Device Simulation
Transfer curve: linear & sqrt(Ids)

ATLAS – Organic LED Device Simulation:
OLED Example
Metal/Organic Interface injection
I.D. Parker J.Appl. Phys. 75(3),1 Feb 1994, p.1656


ATLAS – Organic LED Device Simulation
Injection - Calcium
Ca(2.9eV) is better than other cathode metal.
Simulated
Measured
I.D. Parker J.Appl. Phys. 75(3),1 Feb 1994, p.1656

ATLAS – Organic LED Device Simulation: High-
Efficient Amorphous OLED
Fraction of injected charge that form excitons

ATLAS – Organic LED Device Simulation: Bilayer TPD/
Alq3 OLED Example: Singlet Exciton Density Profile
Exciton Profile

ATLAS – Organic LED Devices Simulation: Bilayer
TPD/Alq3 OLED Example: IL & Internal Efficiency
IL curve Internal Efficiency

ATLAS – Organic LED Device Simulation: Bilayer
TPD/Alq3 OLED Example: Optical Output Coupling
n=1.5
n=1.9
n=1.8

Organic Device Simulation
Transient Simulation of OLED Pixel

Organic Devices Simulation: Basic OLED Equivalent
Circuit
A p-type poly-Si TFT

AM-OLED pixel is shown
The cathode and anode
electrodes of the OLED form
an intrinsic capacitance C and
the resulting equivalent circuit
is shown
When it is connected to a poly-
Si TFT with an on resistance
RON, it forms a circuit with its
speed limited by the RC time
constant

Organic Devices Simulation: Corresponding OLED
Pixel Structure
The device simulation

structure of a p-type Poly-Si
TFT AM-OLED pixel is
shown here
The structure is set up for
device simulation and does
not represent actual
process steps
More complicated OLED
pixels can be simulated
using Atlas MIXEDMODE

Organic Devices Simulation: OLED Pixel Simulation
Curve 1: Transient current

simulation results of the
PPV OLED only (in blue)
Curve 2: The combined
poly-Si TFT/OLED pixel (in
black) – note the effect of
TFT on current level
The rise/fall (ON/OFF)
signal is coupled through
the poly-Si TFT and is
converted as a current
spike in the OLED as
shown


Organic Devices Simulation: OLED Experiment
The transient OLED

current density response
due to a 600ns square
data voltage pulse of the
experimental and
simulation curves are
characterized by:
A sharp charging spike
due to the capacitance of
the device followed by a
quasi-steady state
At turn-off there is a
sharp discharging spike
followed by some decay
* Pinner et al, J Appl Phys 86 (9) 5116

Organic Devices Simulation: Exciton Simulation
A simulated transient result

of the exciton density is
shown
The exciton density
assumes a Langevin
recombination process and
takes into account singlet
excitons, inclusive of
diffusive and decay terms

Organic Devices Simulation: Experimental EL
Curve*
One can observe the fast

initial EL rise followed by a
slower rise, fast modulation in
the turn-off, and a decaying
exponential tail
Assuming the exciton density
is proportional to EL, note the
similar shape of the previous
exciton density simulation
with the EL curve
* Pinner et al, J Appl Phys 86 (9) 5116

Organic Devices Simulation: OLED Langevin
Recombination Zone (2D plot)

Organic Devices Simulation: Langevin
Recombination and Exciton Density
Calculation of
transient OLED
Langevin
recombination and
exciton density
based on 3 pulses

Organic Devices Simulation: PPV OLED Exciton
Density (2D plot)

Organic Devices Simulation: Extraction of OLED
Internal Efficiency
IV-Curve Internal Efficiency Curve

Summary
Organic Materials:
Default Bandgap parameters. Others are defined by user-defined
Density-Of-States(DOS)
Transport: Drift-Diffusion/Poole-Frenkel mobility model
Bimolecular Langevin Recombination
Excition Rate Equation: singlet/triplet exciton profiles
Radiative rate for luminescence or phosphorescence
Reverse Ray-Tracing: external efficiency (refractive index step)
Angular power plot/optical output coupling coefficient/near&far field
distribution

Organic Device Simulation Using Silvaco Software

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Introduction – Silvaco TCAD Simulator