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Mobile Charge Carrier Based Modeling of 4H–21

DNTT and Structure Analysis of OTFT

Shubham Dadhich Garima Mathur Arun Dev Dhar Dwivedi

Student Member of IEEE
Ph.D Scholar, Department of Electrical
and Electronics Engineering, Poornima
University Jaipur, India
saytoshubham@gmail.com
Member of IEEE Senior Member of IEEE
Professor, Department of Electrical Associate Professor, School of
and Electronics Engineering, Poornima Electronics Engineering, VIT Universiy
University Jaipur, India Vellore, India
drgmathur@poornima.org adddwivedi@gmail.com

Abstract— Intensive research on the OSC-P-type has the model. The Poisson equation is used to define charge
resulted in sufficient mobility and an on-off relationship. Thin boundary conditions. The procedure for solving numerical
Film Transistors have a pervasive presence in novel and values could be set as a) NEWTON b) GUMMEL c)
traditional technologies. This paper presents structure analysis BLOCK. For fast approximation newton is used.
based on our developed TCAD model of 4H-21 DNTT OTFT.
The report is primarily based on disorder description and A. Mapping of Semiconductor Parameters
charge carrier recombination. The reported model has included
The operation of the device depends on the properties of
Band- Gap modling and deep and tail DOS (Density of State).
the semiconductor. The 6,6 bis (trans- 4-butylcyclohexyl)-
The design is tested with experimental figures.
dinaphtho[2,1-b:2,1-f]thieno[3,2-b]thiophene (4H–
Keywords—OTFT, 4H–21 DNTT, p-type Organic 21DNTT), has many sigma (σ) and pi (π) bonds. In the OSC
semiconductor, T-CAD Modeling, DOS. layer the weak pi (π) electrons are free to move within the
entire layer. The alternative bonding and antibonding create a
I. INTRODUCTION forbidden energy gap, this is represented as ‘Bandgap’
Flexible device electronics have become a multi-billion-
euro industry [1]. The number of applications is growing in
various fields such as wearable sensor health monitor
biomedical devices and flexible & foldable displays. [2] The
Organic thin Film Transistor is the most competent contender
for flexible circuit designing. The low temperature and low-
cost processing make it more cost friendly and reliable. In
Fig. 1. 4H–21DNTT Chemical Structure [8]
recent decades, the improvement in OTFT technology is
outstanding and this is reflected in the performance
parameters as well. However, the advancement of OTFT for In OSC has rigid molecular structure that present over the
logical circuit technology, enhancement in performance extended-𝜋electron framework. The charge transportation on
parameters, uniformity and reproductivity is essential to intermolecular is done via 𝜋 − 𝜋 overlap in solid state. A free
demonstrate the complex logical circuit. In the paper [3] [4], charge carrier model is described by a quotative approach. The
we can see that Di-naphtho-thieno-thiophene (DNTT) and its semiconductors are built of linear carbon chains. Here N
derivative [5] are air stable promising organic semiconductor atoms having distance d, so (N-1)d become chain length and
(OSC) with large ionizing energy (5.3-5.6 eV). In the previous Nd (Approx.) for large numbers of ‘N’. According to
year [6] C10-DNTT exhibited a large crystalline realm using quantum mechanics:
solution processing. The T-CAD model requires study the
new semiconductors and synthesis of device structure. The En = n2 h2 /8m(Nd)2 , with n = 1,2,3 … (1) .
model also helps to produce ‘Compact Model’ [7] to
implement the device for existing digital logics design. Where: m = electron mass, h = Planck’s figure, n =
Recently, Anubha Bilgaiyan, et. al. [8] reported a new quantum numeral.
cyclopentyl-substituted (4H–21DNTT) on flexible ITO. It If π bond e- comes from ‘N’ number of p-orbitals with two
can be observed that 4H–21DNTT has sufficient mobility and electrons per molecule. The HOMO energy becomes eq. (2)
on-off ratio for TFT realization. The T-CAD model can be as well as LUMO energy becomes eq. (3).
used to enhance its performance. To study the influence of
gate dielectric, OSC thickness a T-CAD model is required. E(HOMO) = (N/2)2 h2 /8m(Nd)2 (2) .
Further, the optimum device structure can be lustrated from
E(LUMO) = (N/2 + 1)2 h2 /8m(Nd)2 (3) .
the TCAD model.
II. DEVICE MODEL
The model described with fundamental device physics. Here
the advanced SILVACO ATLAS [9] tool is used to compile

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 Fig. 2. Two type of π- π band distance (a) Inter-plane (X-Y plane), (b) Intra Plane (along Z-axis).

at the same input potential and it again increases the

So, energy required for exciting an electron is eq. (4).
Eg0 = E(LUMO) − E(HOMO)
= (N + 1)h2 /8m(Nd)2
≈ [h2 /8md2 ]/N for large N
Usually, OSC to be oxide for p-type intense doping and
reduction for n-type intense doping. The metal (S/D) is
connected to OSC to ignite the charge transporter. Here the
work function of metal plays an vital role to energise the
charge carriers[4]. So, the metal work function should match
the HOMO energy level. The electron affinity (𝜒) of 4H–
21DNTT is 1.8 eV. The ionized energy of 4H–21DNTT is 5.2
eV [8], which is nearby the gold work function (ΦM ) 5.5 eV
[10]. So, the gold contacts are very suitable for this OSC.
temperature. Under 5 volt the chain compounds easily but
above 5 Voltage there is no possibility for compounding so
material acts as an insulator. In Fig. 3. The energy barrier is
(4) . shown between metal and semiconductor.
Here in eq. 5 the Eg(0) is experimental band gap, 𝛼𝑃𝐴𝑆𝑆𝐿𝐸𝑅
is band gap modulator and 𝛽𝑃𝐴𝑆𝑆𝐿𝐸𝑅 is temperature
effectiveness and 𝑇𝛽 is temperature calibrator. The high
doping also affects the band gap drastically so the doping
corrections are shown in eq. 6. The N is doping value, BGN.E
and BGN.N are fitting parameters. The values of parameter
are shown in Table I.
𝛼𝑃𝐴𝑆𝑆𝐿𝐸𝑅 ⋅ 𝑇𝛽 1/𝛽PASSLER
𝐸𝑔(𝑇) = {𝐸𝑔(0) − } {[(2 ⋅ 𝑇)
2 𝑇𝛽
(5) .
𝛽PASSLER

+ 1] − 1} + Δ𝐸𝑔

(6) .
𝑁
Δ𝐸𝑔 = BGN. E {ln
BGN ⋅ N
1
2 2
𝑁
+ [(ln ) + BGN ⋅ C] }
BGN ⋅ N

TABLE I. BAND-GAP MODELING PARAMETERS

Parameter Value Unit
𝐸𝑔(0) 3.4 eV
Fig. 3. Metal – OSC Junction.
𝛼𝑃𝐴𝑆𝑆𝐿𝐸𝑅 1.3 eV/K
The energy bandgap of a complex semiconductor can be 𝛽PASSLER 1.3 (ratio)
represented by a simple function of a dependent variable i.e.
𝑇𝛽 300-400 K
temperature, fitting parameters. At the higher temperature [11]
the average valence band energy increases and it also exhibits N 2.1 × 1016 cm−3
a high electric field that is exponential proportional. In the BGN.E 9.3 × 10−3 eV
result, the lower energy band gap allows more current to flow

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 BGN.N 1.8 × 1017 cm−3 with interface boundary conditions. Bulk traps and interface
BGN.C 0.4 (ratio) traps consider directly into Poisson’s equation’s right
side. Anubha Bilgaiyan et al, [8] experimented this
B. Charge Transportation semiconductor with TFT structure and performance is
compared to DNTT and other derivatives. Previously they had
This model is updated to the standard transport model. As experimented more than four derivatives of DNTT and
a result of an OSC higher than 150K temperature, the charge recently reported 4h-21 DNTT as better among them. The
transportation couldn't be explained by the previous theory structure and dimensions are shown in Fig. 4.
[12]. OSC materials have crystal flaws. The dangling bonds
on the interface layer and impurities on substrate are major (9) .
∂𝑛 1
causes of it. The defect centre or trap in semiconductors = 𝑑𝑖𝑣𝐽⃗𝑛 + 𝐺𝑛 − 𝑅𝑛
remarkably changes the electrical behaviour. The trap in ∂𝑡 𝑞
which corresponding energy lies in the forbidden energy gap (10) .
∂𝑝 1
conducts the charge through the capture and emission of = − 𝑑𝑖𝑣𝐽⃗⃗⃗⃗𝑝 + 𝐺𝑝 − 𝑅𝑝
electrons. The trap changes the density [13] of space charge in ∂𝑡 𝑞
OSC and influences the recombination rate. Here the eq. 7 and
eq. 8 is representing the charge recombination rate. Here the carrier continuity [15-17] is shown in eq. 9 &10.
Here, p and n are the density of hole and electron. 𝑛𝑖𝑒 is 𝐺𝑛 & 𝐺𝑝 are the generation rates of (+ve, -ve) charges and
the intrinsic charge density. The electron and hole lifetimes 𝑅𝑛 & 𝑅𝑝 are recombination rates of (+ve, -ve) charges. ‘q’ is
TAUN and TAUP are corresponding to the carrier capture the charge on electron. Jn is the current density of negative
cross sections. The ( Γ𝑛 DIRAC and charge and Jp is the current density of positive charges.
DIRAC
Γ𝑝 ) are the trap lifetimes . The DEGEN. FAC is 𝐽⃗𝑛 = 𝑞𝑛𝜇𝑛 𝐸⃗⃗𝑛 + 𝑞𝐷𝑛 ∇𝑛 (11) .
degeneracy factor that depends on number of atoms and
charge carriers in both bands. 𝐽⃗𝑝 = 𝑞𝑝𝜇𝑝 𝐸⃗⃗𝑝 − 𝑞𝐷𝑝 ∇𝑝 (12) .
𝑅𝐷 =
2
𝑝𝑛−𝑛𝑖𝑒 (7) . Where: 𝐸⃗⃗𝑛 = −∇ (𝜓 +
𝑘T
ln 𝑛𝑖𝑒 ) ;
TAUN 𝐸 −𝐸
[𝑝+DEGEN⋅FAC 𝑛𝑖𝑒 exp( 𝑖 𝑡 )] 𝑞
1+Γ𝑛 𝐷𝐼𝑅𝐴𝐶 𝑘𝑇𝐿
TAUP 1 𝐸 −𝐸 𝑘𝑇 (13) .
+ [𝑛+ 𝑛𝑖𝑒 exp( 𝑡 𝑖 )]
1+Γ𝑝 𝐷𝐼𝑅𝐴𝐶 𝐷𝐸𝐺𝐸𝑁⋅𝐹𝐴𝐶 𝑘𝑇𝐿 𝐸⃗⃗𝑝 = −∇ (𝜓 − ln 𝑛𝑖𝑒 )
2
𝑝𝑛−𝑛𝑖𝑒 (8) . 𝑞
𝑅𝐴 = TAUN 1 𝐸 −𝐸
[𝑝+ 𝑛 exp( 𝑖 𝑡 )] 𝑘𝑇 𝑘𝑇
1+Γ𝑛 𝐷𝐼𝑅𝐴𝐶 𝐷𝐸𝐺𝐸𝑁⋅𝐹𝐴𝐶 𝑖𝑒 𝑘𝑇𝐿
𝐷𝑛 = 𝜇 ;𝐷 = 𝜇 (14) .
+
TAUP 𝐸 −𝐸
[𝑛+ DEGEN⋅FAC 𝑛𝑖𝑒 exp( 𝑡 𝑖 )] 𝑞 𝑛 𝑝 𝑞 𝑝
1+Γ𝑝 𝐷𝐼𝑅𝐴𝐶 𝑘𝑇𝐿
.
IV. VERIFICATION AND RESULT
III. SIMULATION SETUP The developed model is tested with experimental data. The
Now the TCAD engine is ready to simulate the device. The gate voltage to drain current characteristics and drain voltage
dimensions of OTFT discussed below. The device structure to drain current characteristics are compared and both are
could be two types coplanar and staggered. These structures reasonably matched. It is only displayed at 𝑉𝐷𝑆 = −20
differentiated with OSC layers and planes. The staggered voltage point on the logarithmic scale. The threshold voltage
structures have multi-layer OSC but co planners have OSC in is extracted graphically that is 0.4 volt. The 𝐼𝐷𝑆 − 𝑉𝐷𝑆 is
one plane. Each strategy has own metiers and demerits in compared at six voltage points.
sense of operation mode and fabrication [14].

Fig. 4. Structure and dimensions of 4h-21 DNTT

The device physics consist of three mechanisms that add
space charge terms in Poisson's equation with ionized acceptor
and donor impurities. The terms are denoted as bulk trap
states, interface trap states and interface fixed charge.
Interface charge can be represented as a plane sheet of charges
at the interface of two material layers. The area is represented
Fig. 5. Comparision of modeled and experimented
IDS vs VGS (at VDS = −20V )
The insignificant hysteresis is shown in both the transfer
and output curves. The linear (𝜇𝑙𝑖𝑛 ) and saturation (𝜇𝑠𝑎𝑡 )
mobilities are estimated from the slopes of plots of (
1/2
𝐼𝐷𝑆 𝑣𝑠. 𝑉𝐺 𝑎𝑛𝑑 𝐼𝐷 𝑣𝑠. 𝑉𝐺 , respectively. The on/off ratio is

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 greater than 107 and in the saturation regime ( 𝑉𝐷𝑆 = − 20 𝑉)
the mobility (𝜇𝑠𝑎𝑡 ) is extracted to be 13.0 𝑐𝑚2 𝑉 −1 𝑠 –1 . In
the linear regime ( 𝑉𝐷𝑆 = − 1 𝑉) mobility (𝜇𝑙𝑖𝑛 ) is extracted
to be 13.6 𝑐𝑚2 𝑉 −1 𝑠 –1 with 0.2 𝑉𝑇𝐻 . A plot of mobility (in
the linear & saturation regime) vs. gate voltage (Fig.5)
Furthermore, the (𝐼𝐺𝑆 ) leakage current of gate-to-source is
less than 10−10 𝐴. Sub threshold slop is extracted as 158.5 ±
3 mV/decade with the help of the exponential regime of the
IDS in the sub-threshold region
Fig. 6. Comparision of modeled and experimented
IDS vs VDS
Fig. 7. Mobilty vs Gate voltage.
The impact of the gate-voltage on charge mobility in a
long-channel OTFT by transconductance-to-current ratio
change methods, i.e., from the positions of 𝑑𝑔𝑚 /𝑑𝑉𝑔 ≡
𝑑 2 𝐼𝑑 /𝑑𝑉𝑔2 and [−𝑑(𝑔𝑚 /𝐼𝑑 )/𝑑𝑉𝑔 ], has been studied. It has
been noticed that, in the case of negligibly small gate voltage
the constant mobility is exhibited. In the range 0 to -5 voltage
the mobility is intensely change and again fall at higher gate
voltage. At higher gate voltage more charge carriers are
generated and mobility is reduced
V. ANALYSE THE CHANNEL LENGTH
Fig. 8 shows forceful degradation of on off ratio in 4h-21
DNTT below the 30 𝜇𝑚. Because the channel Length reduces,
the power of the gate conductor to exclusively manage the
charge distribution within the channel reduces and therefore
the field originating from the S/D will influence the channel
regime. Therefore, Vth roll-off also occurs in OTFT. In
simulation, the OTFT is shown the SS (Sub-threshold)
of158mV/decade on 40 𝜇𝑚 whereas 2030 𝜇𝑚 channel length
exhibits relatively lower SS respectively. As result, the
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sensitivity of the gate voltage variation to surface potential is
evaluated by SS. The decrement of channel length introduces
(short channel effect) SCE, and drastically reduces this
sensitivity. Therefore, SS will decrease as channel length
reduces. The device shows rather satisfactory performance at
40 𝜇𝑚 channel length by keeping the 𝐼𝑜𝑛 /𝐼𝑜𝑓𝑓 ratio at 106
ranges.
Fig. 8. Effect of channel length on On-Off ratio.
The output behaviour shows no apparent non-linearity at
low values of 𝑉𝐷𝑆 , suggesting that the contact metal resistance
of OTFT is low. However, the contact effects become
drastically changes at lower length of the channel. For this, we
simulated OTFT 4H-21DNTT with channel length variables
ranging from 20 to 100 μm. The contact resistance of BGBC
4H–21DNTT OTFTs has been evaluated in linear mode using
the transmission line method (TLM). The total resistance
( 𝑅𝑇𝑜𝑡𝑎𝑙 ) electrodes (S/D) is represented as summation of
channel resistance (𝑅𝑐ℎ ) and the contact resistance (𝑅𝐶 ).
Fig. 9. Contact resistance vs channel length.
∂𝑉𝐷lin (15) .
𝑅Total = 𝑅𝑐ℎ + 𝑅𝐶 =
∂𝐼D_lin
The contact resistance was calculated by the intersection
of the linear fit of the normalized total resistance of the
channel width (𝑅𝑇𝑜𝑡𝑎𝑙 𝑊) against the length of the channel
(Fig.9) and estimated using the following formula.
(16) .
𝐿
𝑅Total ⋅ 𝑊 = 𝑅𝐶 ⋅ 𝑊 +
𝜇𝑜 𝐶𝑖 (𝑉𝐺𝑆 − 𝑉𝑡ℎ )
 VI. CONCLUSION
TCAD is employed primarily within the technology
development community. The links between TCAD and
circuit simulation occur in the domain of organic transistor
modeling. These links tend to be underutilized however will
offer vital worth to semiconductor foundries. We have
presented aspects of the organic semiconductor and versatile
device market. The compound physical phenomenon theory is
discussed for energy band gap. it's additionally tailored 4H-21
DNTT OSC devices and confirmed with experimental
contrast. The develop model is well conversable and
simulated characteristics are fairly matched with experimental
data. It's discovered that the OSC channel length has an
essential attribute for TFT performance. The model is helpful
to boost device performance.
VII. FUTURE SCOPE
The TCAD model is very adequately designed. Based on
the TCAD model, a compact model can be designed that is
used in the EDA tool for circuit design. Intensive research on
the OSC-P-type has resulted in sufficient mobility and an on-
off relationship. Complementary circuit design technology
required both 'p' and 'n' device-types so developing an era of
n-type organic transistors with sufficient mobility is a
challenge. OSC has a sheath nature in electrical conduction.
Therefore, the output current ID depends on the direction of
the voltages and the orientation of the molecules. Therefore,
the operation can be changed by excellent control in the design
and manufacture of the device. Organic electronics have wide
possibilities for the electronic age.
ACKNOWLEDGMENT
The researchers are appreciative to the DST Government
of India for Early Career Research Award (ECRA) for Project
No. ECR/2017/000179. PhD. Researcher Mr Shubham
Dadhich is appreciative for receiving Junior Research
Fellowship (JRF) under this venture.
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Shubham Dadhich has worked as JRF
under SERB, DST funded Project No.
ECR/2017/000179. Currently he is
pursuing his M. Tech (VLSI) and Ph.
D. (dual degree) in the area of
Numerical Simulation and Compact
Modeling of Organic Thin Film
Transistors.