Thermoelectric Devices TCAD Simulation

2013
Ahmed Nader Al-Askalany
Center of Nanoelectronics and Devices
- Information Technology Institute
6/8/2013
THERMOELECTRIC DEVICES -
TCAD SIMULATION RESULTS
Presented to:
Dr. Hamdy Abdel-Hamid

Prepared by: Ahmed Nader Al-Askalany - CND-ITI - [6/8/2013] Page 1
THERMOELECTRIC DEVICES - TCAD SIMULATION RESULTS 2013
Simulation Environment:
Tool Description Tool Name Version
Device Structure Editor Synopsys Sentaurus Structure Editor
G-2012.06
(1.4, RHEL32)
Mesh Generator Synopsys Sentaurus Mesh
G-2012.06
(1.12, RHEL32)
Device Simulator
Synopsys Sentaurus Device
- sdevice-thermo
- sdevice-hydro
- sdevice-mixedmode
- sdevice-3d
- sdevice-parallel
G-2012.06
(1.7, RHEL32)
Plotting and Visualization Synopsys Sentaurus Visual
G-2012.06
(1.6, ia32, linux_gnu)
Graphical Framework Synopsys Sentaurus Workbench
G-2012.06
(1.11, RHEL32)
Power Computation Methods:
𝑃1 =
𝑉2
𝑅
𝑃2 = 𝑉𝐼
Where,
𝑉 = 𝑉𝐴𝑛𝑜𝑑𝑒 − 𝑉𝐶𝑎𝑡ℎ𝑜𝑑𝑒
𝐼 = 𝐼𝐴𝑛𝑜𝑑𝑒 = 𝐼 𝐶𝑎𝑡ℎ𝑜𝑑𝑒

Detailed Structures:
Structure (1): Paper
Structure (2): Two Couples
Structure (3) T-Copper
Structure (4): Long Structure (5): Copper-Sandwiched Long

Structure (1): Thermocouple from Gold's Paper:
Body Dimension Values
P-Type
(Boron - 1E15)
X -1600 -100
Y 100 1600
Z 0 1500
N-Type
(Phosphorous - 1E15)
X 100 1600
Y 100 1600
Z 0 1500
High
Temp
Resistance
Anode
Voltage
Conduction
Current
Cathode
voltage
Voltage P1 (μW) P2 (uW)
301
10 -1.28E-04 -1.43E-05 -2.71E-04 1.43E-04 2.04E-03 2.05E-03
30 1.51E-05 -1.24E-05 -3.57E-04 3.72E-04 4.62E-03 4.62E-03
50 1.25E-04 -1.10E-05 -4.23E-04 5.48E-04 6.00E-03 6.00E-03
70 2.11E-04 -9.80E-06 -4.75E-04 6.86E-04 6.72E-03 6.73E-03
90 2.81E-04 -8.87E-06 -5.17E-04 7.99E-04 7.08E-03 7.08E-03
110 3.39E-04 -8.10E-06 -5.52E-04 8.91E-04 7.22E-03 7.22E-03
130 3.88E-04 -7.46E-06 -5.81E-04 9.69E-04 7.23E-03 7.23E-03
150 4.30E-04 -6.91E-06 -6.06E-04 1.04E-03 7.15E-03 7.15E-03
170 4.65E-04 -6.43E-06 -6.28E-04 1.09E-03 7.03E-03 7.03E-03
190 4.97E-04 -6.02E-06 -6.46E-04 1.14E-03 6.87E-03 6.87E-03
210 5.24E-04 -5.65E-06 -6.63E-04 1.19E-03 6.71E-03 6.71E-03
230 5.48E-04 -5.33E-06 -6.77E-04 1.23E-03 6.53E-03 6.53E-03
250 5.70E-04 -5.04E-06 -6.90E-04 1.26E-03 6.35E-03 6.35E-03
270 5.89E-04 -4.78E-06 -7.02E-04 1.29E-03 6.18E-03 6.18E-03
290 6.07E-04 -4.55E-06 -7.13E-04 1.32E-03 6.00E-03 6.00E-03
310 6.23E-04 -4.34E-06 -7.22E-04 1.35E-03 5.84E-03 5.84E-03
330 6.37E-04 -4.15E-06 -7.31E-04 1.37E-03 5.67E-03 5.67E-03
350 6.51E-04 -3.97E-06 -7.39E-04 1.39E-03 5.52E-03 5.52E-03

Structure (2): Two Couples:
N-Type 1
X -3300 -1800
Y 100 1600
Z 0 1500
P-Type 1
(Boron - 1E15)
X -1600 -100
Y 100 1600
Z 0 1500
N-Type 2
X 100 1600
Y 100 1600
Z 0 1500
P-Type 2
(Boron - 1E15)
X 1800 3300
Y 100 1600
Z 0 1500
High
Temp
Resistance
Anode
Voltage
Conduction
Current
Cathode
voltage
301
10 -2.88E-04 1.49E-05 -1.40E-04 1.49E-04 2.21E-03 2.21E-03
30 -4.04E-04 1.38E-05 9.38E-06 4.13E-04 5.69E-03 5.69E-03
50 -5.04E-04 1.28E-05 1.38E-04 6.41E-04 8.23E-03 8.23E-03
70 -5.90E-04 1.20E-05 2.50E-04 8.40E-04 1.01E-02 1.01E-02
90 -6.67E-04 1.13E-05 3.49E-04 1.02E-03 1.15E-02 1.15E-02
110 -7.34E-04 1.06E-05 4.36E-04 1.17E-03 1.24E-02 1.24E-02
130 -7.95E-04 1.01E-05 5.14E-04 1.31E-03 1.32E-02 1.32E-02
150 -8.49E-04 9.55E-06 5.84E-04 1.43E-03 1.37E-02 1.37E-02
170 -8.98E-04 9.09E-06 6.47E-04 1.54E-03 1.40E-02 1.40E-02
190 -9.42E-04 8.66E-06 7.04E-04 1.65E-03 1.43E-02 1.43E-02
210 -9.83E-04 8.28E-06 7.56E-04 1.74E-03 1.44E-02 1.44E-02
230 -1.02E-03 7.93E-06 8.04E-04 1.82E-03 1.45E-02 1.45E-02
250 -1.05E-03 7.61E-06 8.48E-04 1.90E-03 1.45E-02 1.45E-02
270 -1.09E-03 7.31E-06 8.88E-04 1.97E-03 1.44E-02 1.44E-02
290 -1.11E-03 7.03E-06 9.26E-04 2.04E-03 1.43E-02 1.43E-02
310 -1.14E-03 6.78E-06 9.60E-04 2.10E-03 1.42E-02 1.42E-02
330 -1.17E-03 6.54E-06 9.92E-04 2.16E-03 1.41E-02 1.41E-02
350 -1.19E-03 6.32E-06 1.02E-03 2.21E-03 1.40E-02 1.40E-02

Structure (3): T-Copper:
N-Type 1
X -3300 -1800
Y 100 1600
Z 0 1500
P-Type 1
(Boron - 1E15)
X -1600 -100
Y 100 1600
Z 0 1500
N-Type 2
X 100 1600
Y 100 1600
Z 0 1500
P-Type 2
(Boron - 1E15)
X 1800 3300
Y 100 1600
Z 0 1500
Copper Inside Y 500
High
Temp
Resistance
Anode
Voltage
Conduction
Current
Cathode
voltage
301
10 -2.85E-04 1.39E-05 -1.45E-04 1.39E-04 1.94E-03 1.94E-03
30 -3.89E-04 1.28E-05 -6.30E-06 3.83E-04 4.88E-03 4.88E-03
50 -4.78E-04 1.18E-05 1.11E-04 5.89E-04 6.94E-03 6.94E-03
70 -5.53E-04 1.09E-05 2.12E-04 7.66E-04 8.37E-03 8.38E-03
90 -6.19E-04 1.02E-05 3.00E-04 9.19E-04 9.38E-03 9.38E-03
110 -6.76E-04 9.57E-06 3.76E-04 1.05E-03 1.01E-02 1.01E-02
130 -7.27E-04 9.01E-06 4.44E-04 1.17E-03 1.05E-02 1.05E-02
150 -7.72E-04 8.51E-06 5.04E-04 1.28E-03 1.09E-02 1.09E-02
170 -8.13E-04 8.06E-06 5.58E-04 1.37E-03 1.10E-02 1.10E-02
190 -8.49E-04 7.66E-06 6.06E-04 1.45E-03 1.11E-02 1.11E-02
210 -8.82E-04 7.29E-06 6.50E-04 1.53E-03 1.12E-02 1.12E-02
230 -9.12E-04 6.96E-06 6.89E-04 1.60E-03 1.11E-02 1.11E-02
250 -9.39E-04 6.66E-06 7.26E-04 1.66E-03 1.11E-02 1.11E-02
270 -9.64E-04 6.38E-06 7.59E-04 1.72E-03 1.10E-02 1.10E-02
290 -9.87E-04 6.13E-06 7.90E-04 1.78E-03 1.09E-02 1.09E-02
310 -1.01E-03 5.89E-06 8.18E-04 1.83E-03 1.08E-02 1.08E-02
330 -1.03E-03 5.67E-06 8.44E-04 1.87E-03 1.06E-02 1.06E-02
350 -1.05E-03 5.47E-06 8.68E-04 1.91E-03 1.05E-02 1.05E-02

Structure (4): Long:
N-Type 1
X -1300 -800
Y 0 3000
Z 0 2250
P-Type 1
(Boron - 1E15)
X -600 -100
Y 0 3000
Z 0 2250
N-Type 2
X 100 600
Y 0 3000
Z 0 2250
P-Type 2
(Boron - 1E15)
X 800 1300
Y 0 3000
Z 0 2250
Copper Length Y 2800
Copper Shift Y In=400 Out=200
High
Temp
Resistance
Anode
Voltage
Conduction
Current
Cathode
voltage
301
10 6.14E-06 -9.54E-07 -3.41E-06 9.54E-06 9.11E-06 9.11E-06
30 1.06E-05 -6.39E-07 -8.60E-06 1.92E-05 1.22E-05 1.22E-05
50 1.28E-05 -4.80E-07 -1.12E-05 2.40E-05 1.15E-05 1.15E-05
70 1.41E-05 -3.85E-07 -1.28E-05 2.69E-05 1.04E-05 1.04E-05
90 1.50E-05 -3.21E-07 -1.38E-05 2.89E-05 9.25E-06 9.26E-06
110 1.57E-05 -2.75E-07 -1.46E-05 3.03E-05 8.32E-06 8.32E-06
130 1.61E-05 -2.41E-07 -1.52E-05 3.13E-05 7.54E-06 7.54E-06
150 1.65E-05 -2.14E-07 -1.56E-05 3.21E-05 6.88E-06 6.88E-06
170 1.68E-05 -1.93E-07 -1.60E-05 3.28E-05 6.32E-06 6.31E-06
190 1.71E-05 -1.75E-07 -1.62E-05 3.33E-05 5.83E-06 5.83E-06
210 1.73E-05 -1.61E-07 -1.65E-05 3.37E-05 5.42E-06 5.42E-06
230 1.74E-05 -1.48E-07 -1.67E-05 3.41E-05 5.06E-06 5.06E-06
250 1.76E-05 -1.38E-07 -1.69E-05 3.44E-05 4.74E-06 4.75E-06
270 1.77E-05 -1.29E-07 -1.70E-05 3.47E-05 4.46E-06 4.46E-06
290 1.78E-05 -1.21E-07 -1.71E-05 3.50E-05 4.21E-06 4.22E-06
310 1.79E-05 -1.14E-07 -1.73E-05 3.52E-05 3.99E-06 3.99E-06
330 1.80E-05 -1.07E-07 -1.74E-05 3.54E-05 3.79E-06 3.79E-06
350 1.81E-05 -1.02E-07 -1.75E-05 3.56E-05 3.61E-06 3.61E-06

Structure (5): Copper-sandwiched Long:
N-Type 1
X -1300 -800
Y 0 3000
Z 0 2250
P-Type 1
(Boron - 1E15)
X -600 -100
Y 0 3000
Z 0 2250
N-Type 2
X 100 600
Y 0 3000
Z 0 2250
P-Type 2
(Boron - 1E15)
X 800 1300
Y 0 3000
Z 0 2250
Middle Copper Y 500 2500
High
Temp
Resistance
Anode
Voltage
Conduction
Current
Cathode
voltage
301
10 8.03E-05 -1.36E-05 -5.60E-05 1.36E-04 1.86E-03 1.86E-03
30 1.43E-04 -8.10E-06 -9.97E-05 2.43E-04 1.97E-03 1.97E-03
50 1.70E-04 -5.76E-06 -1.18E-04 2.88E-04 1.66E-03 1.66E-03
70 1.85E-04 -4.47E-06 -1.28E-04 3.13E-04 1.40E-03 1.40E-03
90 1.94E-04 -3.65E-06 -1.35E-04 3.29E-04 1.20E-03 1.20E-03
110 2.00E-04 -3.09E-06 -1.39E-04 3.40E-04 1.05E-03 1.05E-03
130 2.05E-04 -2.67E-06 -1.43E-04 3.48E-04 9.29E-04 9.29E-04
150 2.09E-04 -2.36E-06 -1.45E-04 3.54E-04 8.33E-04 8.33E-04
170 2.11E-04 -2.11E-06 -1.47E-04 3.58E-04 7.55E-04 7.55E-04
190 2.14E-04 -1.91E-06 -1.49E-04 3.62E-04 6.90E-04 6.90E-04
210 2.16E-04 -1.74E-06 -1.50E-04 3.65E-04 6.36E-04 6.36E-04
230 2.17E-04 -1.60E-06 -1.51E-04 3.68E-04 5.89E-04 5.89E-04
250 2.19E-04 -1.48E-06 -1.52E-04 3.70E-04 5.49E-04 5.49E-04
270 2.20E-04 -1.38E-06 -1.53E-04 3.72E-04 5.14E-04 5.14E-04
290 2.21E-04 -1.29E-06 -1.53E-04 3.74E-04 4.83E-04 4.83E-04
310 2.22E-04 -1.21E-06 -1.54E-04 3.76E-04 4.55E-04 4.55E-04
330 2.22E-04 -1.14E-06 -1.55E-04 3.77E-04 4.30E-04 4.30E-04
350 2.23E-04 -1.08E-06 -1.55E-04 3.78E-04 4.08E-04 4.08E-04

Results Graphs:
Maximum Powers:
0.0000000000
0.0020000000
0.0040000000
0.0060000000
0.0080000000
0.0100000000
0.0120000000
0.0140000000
0.0160000000
10 30 50 70 90 110130150170190210230250270290310330350
Paper
TwoCouples
TCopper
Long
LongSandwiched
0
0.002
0.004
0.006
0.008
0.01
0.012
0.014
0.016
Power (uW)
Power (uW)

Sentaurus Device Command File:
Device Section:
Device Long {
File {
Grid = "/root/Desktop/AllModels/Long/Long_msh.tdr"
Plot = "/root/Desktop/AllModels/Long/Long_plot"
Current = "/root/Desktop/AllModels/Long/Long_current"
}
Electrode {
{ Name="Anode" Voltage=0}
{ Name="Cathode" Voltage=0}
}
Thermode {
{ Name = "THot" Temperature=301 SurfaceResistance=0.01}
{ Name = "TCold" Temperature=300.0 SurfaceResistance=0.01}
}
Physics {
Fermi
RecGenHeat
Thermodynamic
Hydrodynamic
ThermalConductivity(TempDep Conductivity)
HeatCapacity(TempDep)
Mobility( DopingDependece(UniBo) Enormal(UniBo))
}
Physics(MaterialInterface="Silicon/Copper") {
MSPeltierHeat
}
Physics (Material="Silicon") {
TEPower(Analytic)
}
Physics (Material="Copper") {
MetalTEPower()
}
}

Plot Section:
Plot {
eDensity
hDensity
eCurrent
hCurrent
Current
ConductionCurrent
SpaceCharge
ElectricField
Potential
eMobility
hMobility
eVelocity
hVelocity
EffectiveBandGap
BandGap
BandGapNarrowing
eQuasiFermiEnergy
hQuasiFermiEnergy
eQuasiFermi
hQuasiFermi
TotalRecombination
eTemperature
hTemperature
LatticeTemperature
eThermoelectricPower
eJouleHeat
hJouleHeat
JouleHeat
TotalHeat
RecombinationHeat
ThomsonHeat
PeltierHeat
eHeatFlux
hHeatFlux
lHeatFlux
ConductionBandEnergy
ValenceBandEnergy
eDriftVelocity
hDriftVelocity
ThermalConductivity
}

System Section:
System{
Long Long1 ( Anode=A Cathode=C )
Resistor_pset Rout ( A C ){ resistance = @RLoad@ }
}
Math Section:
Math {
*-- Parallelization on multi-CPU machine --*
Number_Of_Threads=2 * change the number of threads to > 1 to make
* parallelization possible. First ensure your machine
* has shared-memory multi-CPU configuration.
*-- Numeric/Solver Controls --*
Extrapolate * switches on solution extrapolation aLong a bias ramp
Derivatives * considers mobility derivatives in Jacobian
Iterations=8 * maximum-allowed number of Newton iterations (3D)
RelErrControl * switches on the relative error control for solution
* variables (on by default)
Digits=5 * relative error control value. Iterations stop if
* dx/x < 10^(-Digits)
Method=ILS * use the iterative linear solver with default parameter
NotDamped=100 * number of Newton iterations over which the RHS-norm
* is allowed to increase
Transient=BE * switches on BE transient method
}
Solve Section:
Solve {
Coupled{Long1.Poisson Long1.Electron Long1.Hole Long1.Temperature Long1.eTemperature Long1.hTemperature Circuit}
}

Simulation Visualization Example (TwoCouples R=250):

Thermoelectric Devices TCAD Simulation

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