Device_simulation_of_negative_capacitanc
Device_simulation_of_negative_capacitanc
Invited Paper
Received August 7, 2019; Revised November 18, 2019; Published April 1, 2020
Abstract: We model the behavior of uniaxial ferroelectrics and simulate planar negative-
capacitance (NC) field-effect transistors (FETs) having a gate insulating film made of a uni-
axial ferroelectric. The behavior of such NC FETs strongly depends on the direction of the
ferroelectric polarization axis. When the direction is away from being parallel to the ferro-
electric film to some extent, the ferroelectric polarization becomes larger than the paraelectric
polarization and the ferroelectric film begins to act as a negative capacitor. The NC FETs can
then be switched on and off more steeply than conventional metal–oxide–semiconductor FETs.
This NC effect is maximized at that moment and becomes weaker as the direction approaches
perpendicular to the ferroelectric film.
Key Words: negative capacitance, ferroelectric, field-effect transistor, steep-slope transistor,
device simulation, TCAD
1. Introduction
The demand for integrated circuits to reduce the power consumption has been growing for applications
in portable, wearable [1, 2], and implantable electronic devices [1, 3] and wireless sensor networks [4,
5]. An effective way is to lower the operating voltage, which requires constituent transistors to be
switched on and off steeply within a narrow voltage range, or to have a low subthreshold swing S.
Since the best value of S for conventional metal–oxide–semiconductor (MOS) field-effect transistors
(FETs) is limited to about 60 mV/decade at room temperature, the introduction of new physical
phenomena such as quantum tunneling of carriers [6] has been considered so far to overcome this
limitation. Negative capacitance (NC) of ferroelectric materials is also one such phenomenon [7] and
FETs harnessing this are referred to as NC FETs. NC FETs have similar structures to MOS FETs
and in most cases a ferroelectric thin film is inserted into their gate stack as a gate insulator. The
ferroelectric film reduces the voltage applied to its underlying structure at a low gate voltage VG , while
enhances it at a high VG . Owing to this VG modulation, the underlying structure experiences a larger
variation in the applied voltage than a given variation in VG ; consequently, the drain current steeply
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Nonlinear Theory and Its Applications, IEICE, vol. 11, no. 2, pp. 145–156 c
IEICE 2020 DOI: 10.1587/nolta.11.145
increases or decreases. NC FETs have recently been studied widely and intensively and their steep
switching with an S of less than 60 mV/decade has already been reported by a number of research
groups [8–10]. Simulation will play an important role in the development of such studies by assisting
the understanding of the behavior, prediction of the performance, and exploration of the suitable
structure and material of NC FETs. It is therefore urgently needed to establish the simulation
method for NC FETs, especially compatible with device simulators in technology computer-aided
design (TCAD) systems, because those simulators are universally used for the simulation of standard
electronic devices including MOS FETs.
A typical simulation method is intended mainly for an NC FET having a metal film beneath a
ferroelectric film in the gate stack. In this method, such an NC FET is divided into two components:
the ferroelectric capacitor sandwiched between the internal metal film and gate electrode and the
remaining FET structure. They are simulated separately and then the results obtained for the FET
structure are corrected on the basis of the voltage across the ferroelectric capacitor [11–16]. Although
this method assumes that the polarization is uniform in the ferroelectric film, some recently proposed
methods take into account the nonuniformity of the polarization [17, 18]. Owing to the difference in
algorithms or core calculation techniques, it seems to be difficult to fully incorporate these methods
into device simulators.
We have considered the simulation methods of NC FETs using our original homemade device
simulator named Impulse TCAD [19, 20]. Owing to its high customizability that all device properties
and all equations governing them can be defined by users, we successfully realized the simulation of NC
FETs and revealed their interesting features such as reverse drain-induced barrier lowering, negative
drain conductance, and fringing field effect [21–23]. Recently, we proposed a new simulation method
taking into account nonuniform polarization fields in ferroelectrics [24]. It has complete applicability
not only to Impulse TCAD but also to other standard device simulators, and high extensibility as well,
which enables device simulators, for example, to take into account a nature of ferroelectrics that the
polarization vectors tend to have the same direction and magnitude. In this method, the polarization
vectors are assumed to potentially point in any directions; however, some materials, including hafnia of
recent great interest, exhibit uniaxial ferroelectricity [25, 26], that is, the polarization vectors can only
point in one direction or the opposite direction in such materials. In this paper, we model uniaxial
ferroelectrics in a form that can be used in standard TCAD device simulators and simulate the
behavior of planar NC FETs having a gate insulating film made of a uniaxial ferroelectric on Impulse
TCAD. Then we investigate the relationship between the polarization axis and the performance
of such NC FETs and find that their switching becomes steep only when the angle between the
polarization axis and the ferroelectric film is within a certain range.
2. Simulation method
2.1 Governing equations for uniaxial ferroelectrics
In the simulation of NC FETs, the polarization field in the ferroelectric film is a key target. We
assumed that it can be written as
P FE = P d + P p . (1)
The first term on the right side is the component representing the uniaxial ferroelectricity, which
is parallel to the unit vector d and whose magnitude is |P |. Also, the second term represents the
paraelectric component and it was assumed to be simply proportional to the electric field E as
P p = χp ε0 E, (2)
where ε0 is the permittivity of vacuum. The polarization field P FE interacts with E and affects the
behavior of NC FETs. Introducing the electric potential ψ instead of directly dealing with E, which
is given by −∇ψ, we can write the energy functional of the ferroelectric film as [17, 20]
δ 1 ε0
2
U [ψ, P ] = αP 2 + βP 4 + γP 6 + |∇P |2 + |P p |2 + (ρ − ∇ · P FE )ψ − |−∇ψ| dV, (3)
2 2χp ε0 2
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Fig. 1. Schematic view of the CV of a node n in a computational mesh, each
of whose faces is shared with the CV of an adjacent node and intersects with
the edge between the two nodes at a right angle at the midpoint of the edge.
where α, β, γ, and δ are material parameters and ρ is the charge density. When the ferroelectric film
is in a stable state, this energy is expected not to change with infinitesimal variations in ψ and P .
The conditions for ψ and P to meet this expectation leads to the following two equations,
∇ · (εp E + P d) − ρ = 0 (4)
and
2αP + 4βP 3 + 6γP 5 − δ∇ · (∇P ) − d · E = 0, (5)
where εp is equal to (1 + χp )ε0 . The first equation is known as Poisson’s equation, and the second
equation is referred to as the Landau–Khalatnikov (LK) equation in this paper because it is also
derived from the LK model [7, 24, 27]. These two equations govern ψ and P in the ferroelectric film
in a steady state.
where the summation is taken over all adjacent nodes m, Vn is the volume of n’s CV, and Snm is
the area of the CV’s face shared with m’s CV. Also, Enm and Pnm are the electric and ferroelectric
polarization fields perpendicular to and on Snm and they were approximated as Enm = −(ψm −
ψn )/ℓnm and Pnm = (Pn + Pm )d · r nm /2, where r nm is the edge vector from n to m and ℓnm is its
length. On the other hand, the LK equation of Eq. (5) can be discretized as
Pm − Pn
−δ Snm + (2αPn + 4βPn3 + 6γPn5 − d · E n )Vn = 0. (7)
m
ℓnm
Here, E n is the electric field at n and its component in each direction was approximated as
Enm (unm )i |(unm )i |Snm
(E n )i = m , (8)
m |(unm )i |Snm
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Fig. 2. Schematic views of planar NC FETs (a) with and (b) without an
internal metal film. The regions labeled “G”, “S”, and “D” represent the
gate, source, and drain electrodes, respectively. The thicknesses of the film
components are shown in parentheses in their labels. The thickness of the gate
oxide film TOX is 1 nm in (a) and 5 nm in (b).
∇ · f + s = 0, (9)
all a user has to do is to specify the discretized general forms of the inward flux term f and the source
term s together with variables in the run script. Then Impulse TCAD discretizes this equation as
fnm Snm + sn Vn = 0 (10)
m
and derives the Jacobian of this left side automatically. For example, if fnm is specified as −(εp Enm +
Pnm ) and sn as ρn , Impulse TCAD constructs Eq. (6).
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Table I. Parameters used in the simulation.
Component Material Parameter Value
Body Si Permittivity ε 11.7ε0
Gate oxide film SiO2 ε 3.9ε0 TOX /(1 nm)
Gate sidewall Si3 N4 ε 7.8ε0
Ferroelectric film Hafnia α −4.64 × 108 m/F
β −1.29 × 108 m5 /FC2
γ 9.88 × 1010 m9 /FC4
δ 1.56 × 10−8 m3 /F
εp 36ε0
is 20 µC/cm2 , the coercive electric field Ec is 1 MV/cm, and the ferroelectric polarization at Ec is
0.67Pr , as shown in Fig. 3(a). On the line A–B in the figure, such a ferroelectric is in an NC state and
the contribution of the ferroelectric polarization to the permittivity becomes negative, as shown in
Fig. 3(b). The ferroelectric polarization angle θ was set to be perpendicular to the ferroelectric film,
or 90◦ , the paraelectric permittivity εp was set to 36ε0 , and the value of the remaining ferroelectric
parameter δ was determined so that the domain wall thickness Tdw is 10 nm, which is given by [28]
6δ
Tdw = . (12)
−(2α + βPr2 )
Figure 4(a) shows the drain current ID vs gate-to-source voltage VGS characteristics of the NC
FET and the corresponding MOS FET at a drain-to-source voltage VDS of 0.05 V. That MOS FET
is obtained by merging the ferroelectric film and internal metal film into the gate electrode in the NC
FET. Comparing the two ID –VGS characteristics, we can see that the ID of the NC FET varies more
steeply than that of the MOS FET. This is because, in the NC FET, the gate voltage VG is modulated
by the NC of the ferroelectric film. This VG modulation is shown in Fig. 4(b) as the voltage across
the ferroelectric film ∆VG , to be precise, as the electric potential of the lower surface relative to that
of the upper surface. The MOS structure under the ferroelectric film experiences VG + ∆VG as an
effective gate voltage and this voltage determines the ID of the NC FET. The ferroelectric film forms
a series capacitor together with the gate oxide film and the depletion layer under the semiconductor
surface and the difference between VG and the flat band voltage is applied to this series capacitor.
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Fig. 4. (a) Drain current ID vs gate-to-source voltage VGS characteristics of
(solid line) the NC FET with an MFMOS structure shown in Fig. 2(a) and
(dotted line) the corresponding MOS FET at a drain-to-source voltage VDS of
0.05 V. (b) Voltage across the ferroelectric film ∆VG in the NC FET. In the
simulation, the ferroelectric polarization angle θ was 90◦ , that is, perpendicular
to the ferroelectric film.
Fig. 5. (a) ID and (b) ∆VG in NC FETs with an MFMOS structure calcu-
lated for θ’s of 0◦ , 30◦ , and 60◦ and a VDS of 0.05 V as a function of VGS .
Thus, as VG increases, ∆VG increases. Because the underlying MOS structure is subjected to this
∆VG variation in addition to the VG variation, ID varies with VG more steeply in the NC FET.
Next, we simulated NC FETs with the same structure as above for different ferroelectric polarization
angles θ’s. Figures 5(a) and 5(b) show ID and ∆VG in the NC FETs calculated for θ’s of 0◦ , 30◦ , and
60◦ and a VDS of 0.05 V as a function of VGS , and they indicate that the behavior of the NC FETs
is strongly dependent on θ. As can be seen from Fig. 5(b), the capacitance of the ferroelectric film is
150
Fig. 6. (a) Subthreshold swing S of NC FETs with an MFMOS structure
at a VDS of 0.05 V as a function of θ. The dotted line represents the S of the
corresponding MOS FETs, whose value is 65.1 mV/decade. (b) Capacitance of
the ferroelectric film CFE multiplied by TFE /ε0 , where TFE is the thickness of
the ferroelectric film. The gray areas represent the region of values of θ where
the evaluation of S failed.
sin2 θ 1 εp
CFE ≃ + , (15)
2α + 12βP 2 + 30γP 4 TFE TFE
where the first term represents the contribution of the ferroelectric polarization Cf and the second
term represents the contribution of the paraelectric polarization and electric field Cp . Although Cp
is always positive, Cf becomes negative when the ferroelectric film is in an NC state. Figure 6(b)
shows CFE calculated as a function of θ with an assumption that both the ferroelectric polarization
P d and the electric field E are zero. When VGS is equal to Vth , the voltage across the ferroelectric
film is considered to be lower than 0.4 V for most values of θ, as can be inferred from Figs. 4 and
5. This means that, in the subthreshold region, the vertical electric field in the ferroelectric film Ez
(≃ ∆VG /TFE ) rarely exceeds 0.4 MV/cm. The electric field parallel to the ferroelectric polarization
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axis E (≃ Ez sin θ) will certainly be weaker. Figure 3(b) indicates that Cf hardly changes with such
E since the contribution of P d to the permittivity plotted as a function of E in that figure is equal
to Cf TFE / sin2 θ. Also, Cp is constant for any electric field. Therefore, it can safely be assumed that
CFE takes the value shown in Fig. 6(b) in the subthreshold region. Then it is immediately apparent
from Eq. (14) that when CFE varies with θ as shown in Fig. 6(b), S varies as shown in Fig. 6(a).
When the ferroelectric polarization axis is close to parallel to the ferroelectric film, that is, when
θ is close to 0◦ or 180◦ , Cf cannot cancel Cp and CFE has a positive value; consequently, the NC
FETs have a worse S than the MOS FETs. On the other hand, when the polarization axis is close to
perpendicular to the ferroelectric film, that is, when θ is close to 90◦ , Cf completely cancels Cp and
CFE becomes negative; consequently, the S of the NC FETs becomes better than that of the MOS
FETs. The further θ is from 90◦ , the closer the negative CFE is to zero, and as can be seen from
Eq. (14), the better S becomes in the NC FETs. Since CFE is a series component of the gate-to-source
capacitance CGS , if the negative CFE is very close to zero, CGS will become negative. A negative CGS
means that the number of carriers increases with decreasing VGS , that is, the lower VGS becomes, the
larger ID flows. Although this will never occur in reality, it is not predictable how real NC FETs
behave for a negative CGS . In Fig. 6(b), CFE is zero when θ is about 33◦ or 147◦ . When θ was close
to such an angle, the voltage across the ferroelectric film became very large. Then the simulation
became unstable and we could not obtain ID in the range of VGS required to calculate S. The range
of values of θ that caused such a situation are shown in gray in Fig. 6.
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Fig. 7. S of NC FETs with an MFOS structure calculated for VDS ’s of (a)
0.05 V and (b) 1 V as a function of θ. The values of S of the corresponding
MOS FETs, shown by the dotted lines, are 65.1 and 64.9 mV/decade.
with respect to the ferroelectric polarization angle θ measured from the normal of the ferroelectric
film, 90◦ , such as the subthreshold swing S shown in Figs. 6(a) and 7(a) may also disappear. As can
be inferred from the electric field near both upper corner of the gate oxide film in MOS FETs shown
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in Fig. 8(a), the electric field entering the ferroelectric film in NC FETs has an angle of about 45◦ at
the source-side corner and has an angle of 135◦ at the drain-side corner. For this electric field, when
θ is 45◦ , the last term on the left side of Eq. (5), d · E, becomes about |E| at the source-side corner
and becomes about zero at the drain-side corner. On the other hand, when θ is 135◦ , the opposite
occurs. Thus, when VDS is high to some extent and the electric field entering each lower corner of
the ferroelectric film has a different magnitude, an NC FET with a θ of 45◦ probably shows different
behavior than that with a θ of 135◦ . If one set θ to other than 90◦ to bring out better NC effects,
this kind of behavioral asymmetry may have negative effects on the performance of some circuits
where the source and drain of transistors are interchanged during operation. This is because, for the
ferroelectric film, the interchange of source and drain means that the ferroelectric polarization angle
is changed from θ to 180◦ − θ. Finally, we simulated the NC FETs without an internal metal film for
a high VDS of 1 V. Figure 7(b) shows the dependence of their S on θ and its symmetry still seems to
be preserved. Comparing the electric potential distributions in the NC FETs with θ’s of 45◦ and 135◦
respectively shown in Figs. 8(b) and 8(c), we can see that they are quite different near the drain-side
edge of the ferroelectric film. This difference causes a difference in the electric potential distribution
near the gate-drain edge of the semiconductor body, although it is smaller. In the other regions of
the semiconductor body except for the region very close to the gate-source edge, however, such a
difference is not clearly observed between the two NC FETs. They thus have a similar S. This holds
true for the other pairs of NC FETs.
4. Conclusions
We developed a method for standard device simulators to simulate the behavior of uniaxial ferro-
electrics and incorporated it into our original homemade device simulator named Impulse TCAD,
thereby realizing the simulation of planar NC FETs with a gate insulating film made of a uniaxial
ferroelectric. The behavior of such NC FETs varies greatly depending on the direction of the ferro-
electric polarization axis regardless of the presence or absence of an internal metal film. When the
angle between the direction and the ferroelectric film becomes large to some extent, the ferroelectric
polarization exceeds the paraelectric polarization and the ferroelectric film acts as a negative capac-
itor; consequently, the NC FETs can be switched on and off more steeply than the corresponding
MOS FETs. This NC effect is maximized at that threshold angle and becomes weaker as the angle
approaches perpendicular to the ferroelectric film. Choosing an angle close to the threshold angle as
the ferroelectric polarization angle, however, should be avoided, because the NC of the ferroelectric
film can potentially make the gate-to-source capacitance negative and then destabilize the behavior of
the NC FETs in some operating conditions. When the angle is not perpendicular to the ferroelectric
film, the behavior of NC FETs without an internal metal film may change by an interchange of the
source and drain. This kind of asymmetry, however, was not observed in the NC FETs with a gate
length of 100 nm and it might appear in the NC FETs having a shorter gate.
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