The 9th International Forum on Strategic Technology (IFOST), October 21-23, 2014, Cox’s Bazar, Bangladesh

Observation of Reservoir Density of State for

Armchair Graphene Nanoribbon Channel
Asif Hassan1, Tanvir Ahmad Tarique2, Md.Imran Khan3, Minhaz Ibna Abedin4
Khulna University of Engineering and Technology,Bangladesh.1
Bangladesh University of Engineering and Technology, Bangladesh. 2
World University of Bangladesh, Bangladesh. 3
Chittagong University of Engineering and Technology, Bangladesh4
asif08ece@live.com1,tarique5@gmail.com2, imrankhankuet@gmail.com3 ,minhaz.eee.cuet@gmail.com4.

Abstract— Graphene nanoribbons (GNRs) are nowadays
considered as a promising candidate for the upcoming
nanoelectronics. GNRs are fabricated in laboratory by cutting a
monolayer graphene into nano strip ribbon. Armchair GNR (A-
GNR) which is now widely used because of its semiconducting
electronic properties. Band gap energy, velocity of carrier,
density of state (DOS) which are the basic features in observing
semiconducting properties of materials. Another important
feature which is silently discussed in literature is that “reservoir”
is a source of charge carrier into A-GNR channel. In this paper
we will observe the bandgap energy, velocity of carrier in A-GNR
and DOS in A-GNR and reservoir assuming reservoir length in
nanometer scale. We will also calculate above mentioned
parameter for m=3p+1 and m=3p structures.
It is now used as a channel in FET. To design a FET it is
logical to consider all of environmental effect in fabrication
process. The bitter deformation is observed in fabrication when
all the deformed distance or hopping parameter form carbon to
carbon atom is considered; such a consideration is called edge
bond relaxation. Upon this consideration bandgap energy,
velocity of carrier and DOS in A-GNR calculation will be
fruitful. Along with this DOS of reservoir which is supplier of
charge into A-GNR also a better study for carrier behavior
through the nano sized FET.

Keywords—Graphene nanoribbon, bandgap energy, velocity

density of state,reservoir.

I. INTRODUCTION
Graphene is a basic building block for graphitic materials
of one two, three dimensional (1D,2D,3D) based nano-device
which is a flat monolayer of carbon atoms tightly packed into
a 2D honeycomb lattice[1].Because of its high mobility and Fig 1. Schematic of a A-GNR. The orange circles denote hydrogen atoms
carrier velocity it is used as ballistic devices and shows high terminating the edge carbon atoms(red circle). The number of dimmer line and
switching speed[2]. Nowadays it is considered an alternative to the ribbon width are represented by m and Wac, indicating first (1NN) and
silicon for the channel in field effect transistor (FET)[3]-[4]. third (3NN)nearest neighbor distance .

It is discovered that graphene is candidate in semiconductor
ruled research world. But one lack is that it shows zero-gap in
band structure. With the demand of creating a bandgap in
graphene a method “cutting the graphene into narrow strip or
ribbon like” which is named as graphene nano ribbons (GNRs)
after transformation into nanoribbon. It has two prototypical
shapes which is now boon to a lot of branch in nanoscince.
Like i) Armchair-GNR is sown in Fig.1 and ii) Zigzag-GNR.
A-GNR is mostly used because of its semiconducting behavior
which than its other behavior.
978-1-4799-6062-0/14/$31.00©2014 IEEE
In this paper considering edge bond relaxation we will
calculate energy, band gap energy, velocity and density of state
in A-GNR. Then we will calculate the density of state in
reservoir for corresponding energy of electron. We will also
observe bandgap energy, velocity of carrier and DOS for two
different structures.
II. THEORY
An armchair-edge graphene nanoribbon structure
armchair-like arm of chair pattern where carbon atom are
terminated by hydrogen atom. A-GNR shows semiconducting
phenomena in m=3p+1 and m=3p structures where m is the
dimerline in A-GNR. During fabrication the structure is
deformed where carbon to carbon distance is differ from one

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distance to another here it is seen as The width of an armchair in sample. It is also seen that every state have same amount of
ribbon can NN and 3NN.But the width can be calculated from energy. For this the task of calculating carrier energy for every
its m across its width. One pre-established rule for calculating and each possible is measured by DOS as a concentration of
A-GNR’s width is energy in total. The DOS of A-GNR is calculated as [4]

D ( E ) = h4ν (4)

( )
3
W = m −1 a (1) Now the reservoir which is an large system acting as a
ac 2 source for the charge carriers into nanoscale sample here like in
A-GNR. Because of its large dimension than channel (A-GNR)
the density of state is an amount of greater value than in A-
where a = 1.42 Α0 is the nearest neighbor distance. GNR which means electron have to pass a source and for this
Now the energy equation for different state of energy level it’s velocity is decreasing than initial at reservoir[5]. For this an
for electron is lower amount of DOS is found in A-GNR than in reservoir for
carrier movement. The amount is calculated as [6]

ETh = τ= (5)
E =  (  )2 + (= s k)2  (2)
 2 
where τ = length of source
electron velocity here the electron
where = is the reduced plank constant,
velocity is used as 1.7 × 10 7 cms −1 .
And the amount of DOS in reservoir is
 p 2 p
=  ( 2 s cos + 1 ) +  ( 2 s cos + 1) + D ( E ) r = D ( E ) A−GNR + ETh × 10 P (6)
2 1 m +1 3 m +1
( +  ) where P= power as in DOS in A-GNR.
3 
1 2 p
4 sin III. RESULTS AND DISCUSSION
m +1 m +1
Now at first we will calculate the bandgap energy for m=3p
and m=3p+1 which can be calculated from equation (2).
and
2 2 1 p 2 p 1
(= s ) = ( 3d) { − 1s cos × [ +  ( 2 cos + 1)
2 m +1 1 3 m +1
0.5
( +  )
3 
1 2 p
+4 sin ]−
E(eV)

m +1 m +1 0

( +  )
3  -0.5
p 1 2 p
 ( + 2  cos +4 sin )}
3 1 3 m +1 m +1 m +1
-1
-0.2 -0.1 0 0.1 0.2
where 1 = - 3.2 eV is the first nearest neighbor hopping k
parameter, 3 = - 0.3 eV is the third nearest neighbor hopping Fig 2. First sub-band structure of A-GNRs using m=24 for considering edge
bond relaxation.
parameter, 1 = - 0.2 eV is the correction of 1 for the bonds
due to the edge bond relaxation effect [4].
There is a simple relation between the velocity and energy
which is differentiation with respect to state k of energy level
and denoted as

ν = =1 dE
dk (3)

The renowned Schrodinger equation gives complete

characteristics of carrier and energy statistics of different states

496
 There is also subtle greater amount of velocity for m=3p+1
1
than m=3p which we will denotes in a Table I.
At last we will calculate DOS in A-GNR and reservoir for
0.5 m=3p and m=3p+1 which is shown successively in Fig.6, 7
and 8.
E(eV)

0 6

5
-0.5

DOS(*109 m.eV)
4

-1 3
-0.2 -0.1 0 0.1 0.2
k
Fig 3. First sub-band structure of A-GNRs using m=25 for considering edge 2
bond relaxation.
1
We have seen that there is an amount of band gap in Fig.2
and Fig.3. We have calculated bandgap for m=3p is 0.3738 eV 0
and m=3p+1 is 0.3902 eV. -1 -0.5 0 0.5 1
E(eV)
Now we will calculate the velocity of carrier in A-GNR Fig 6.Sub band energy E (eV) vs. DOS in A-GNR(m.eV) using m=24 for
again for m=3p and m=3p+1. considering edge bond relaxation.

1 6

5
0.5
DOS(*109 m.eV)
4
E(eV)

0 3

2
-0.5
1

-1 0
0 2 4 6 8 10 -1 -0.5 0 0.5 1
v(*105 m/s) E(eV)
Fig 4. Velocity (m/s) vs. sub band energy E(eV) using m=24 for considering Fig 7. Sub band energy E(eV) vs. DOS in A-GNR(m.eV) using m=25 for
edge bond relaxation. considering edge bond relaxation.

1 6

5
0.5
DOS(*109 m.eV)

4
E(eV)

0 3

2
-0.5
1

-1 0
0 2 4 6 8 10 -1 -0.5 0 0.5 1
v(*105 m/s) E(eV)
Fig 5. Velocity (m/s) vs. sub band energy E(eV) using m=25 for considering Fig 8. Sub band energy E(eV) vs. DOS in reservoir (m.eV) using m=25for
edge bond relaxation. considering edge bond relaxation.

497
 We have also seen a difference DOS in A-GNR for m=3p 2.83 nm(m=24 as 3p) and 2.95 nm (m=25 as 3p+1).We will
and m=3p+1 which we will discuss into table. And then we also calculate the velocity of carrier(electron) and DOS in A-
will see that DOS which is a greater amount in reservoir and it GNR. Electron produces from source which is called reservoir
is observed for m=3p+1 it gives a highest value of DOS. and come across a distance equal to length of source. For this
there is a little amount of DOS is calculated in A-GNR than in
reservoir. We have calculated DOS in A-GNR from above
TABLE I. Band gap Energy, Velocity in A-GNR & DOS in A-GNR,
Reservoir defined structural parameter (m).Then we have calculated DOS
in reservoir from a predefined formula which must be included
with DOS in A-GNR to measure DOS in reservoir. We have
A-GNR Reservoir also seen that for m=3p+1 bandgap energy,velocity in A-GNR
A than in m=3p. Also there is some more amount of DOS for
Dimerline m=3p m=3p+1 m=3p m=3p+1
m=3p+1 than m=3p where we have found a
9
5..2593 × 10 m.eV that is highest recorded in our work. The
greater amount of energy for m=3p+1 than for m=3p which
Bandgap 0.3738 0.3902 is not is not denotes if we include a dimerline than the previous we will
Energy calculated calculated find more energy, band gap energy ,velocity and energy of
DOS.
Velocity 0.4830 to 0.4599 to is not is not
9.3970 9.3607 calculated calculated
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In this paper we will calculate the band gap energy form E-
k band structures diagram using A-GNR as channel of width

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