Journal of the Korean Physical Society, Vol. 46, No. 1, January 2005, pp.

59

Landau-Khalatnikov Simulations for Ferroelectric Switching in Ferroelectric

Random Access Memory Application
Tae Kwon Song
Department of Ceramic Science and Engineering,
Changwon National University, Changwon, Kyungnam 641-773
(Received 5 August 2004)
Landau-Khalatnikov simulation, a dynamical version of Landau-Devonshire theory, for ferroelectric switching properties is shown to be very useful in understanding the operation of ferroelectric
random access memory devices. The simulated ferroelectric hysteresis loops and pulse-current
responses agreed well with experimental results. Partial switching responses and external stress
effects are studied. The relation between the shape of hysteresis loops and switching-current responses is also studied. The simulated switching-current responses agreed well with conventional
Kolmogorov-Avrami-Ishibashi switching theory independent of hysteresis-loop shape.
PACS numbers: 77.80.Fm, 78.20.Bh, 77.80.Dj, 77.22.Ej, 77.65.-j
Keywords: Ferroelectric switching, Landau-Khalatnikov simulation, Hysteresis loop, Polarization, Stress

The phenomenological investigations of dynamical

properties of ferroelectric materials are studied with the
aid of the LK Equation:

I. INTRODUCTION
Ferroelectric switching properties have received much
attention since ferroelectric materials were discovered. A
ferroelectric material has spontaneous polarization without external electric field, and the polarization should
be switched in reverse with an electric field. Domain
dynamics have been studied experimentally and theoretically to understand ferroelectric switching properties
[14].
In the last decade, switching properties of ferroelectric
thin film capacitors have been studied intensively for ferroelectric random access memory (FeRAM) applications,
since ultra-fast writing and reading operation is one of
the merits of FeRAM devices [5, 6]. Phenomenological
Landau-Devonshire (LD) theory has been studied well,
to understand the ferroelectric phase transition and size
effects of ferroelectrics [7, 8]. The Landau-Khalatnikov
(LK) equation is a dynamical version of LD theory [9
11].
In this paper, the applicability of the LK equation
for the ferroelectric-switching hysteresis loop and pulseswitching current response is demonstrated. Partial
switching and external stress effects are studied. The
switching dynamics of differently shaped hysteresis loops
are compared.

dP
dG
=
,
dt
dP

(1)

where is a kinetic coefficient. This equation expresses

the fact that the regression dP/dt of a given polarization
fluctuation towards equilibrium is the faster, the larger

the thermodynamic force, G(P,

E)/P , that is applied [9].
is expressed
The LD free energy density functional (G)
as expansions of the order parameter of the ferroelectric
phase, polarization (P ) [4]:

II. SIMULATION
E-mail:

Fig. 1. Simulated hysteresis loop for BaTiO3 at 20 C

from LK equation.

tksong@changwon.ac.kr; Fax: +82-55-262-6486

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Journal of the Korean Physical Society, Vol. 46, No. 1, January 2005

1
1
1
1

G(P,
E) = g0 + g2 P 2 + g4 P 4 + g6 P 6 EP.(2)
2
4
6
2
The parameters g0 , g2 , g4 , and g6 in Eq. (2) have
been decided from the experimental data such as temperature dependent dielectric constants and hysteresis
loop shapes, i.e. Psat and Pr . For the well-known ferroelectric single crystals such as BaTiO3 and PbTiO3 , the
parameters have been reported [2,3].
Equation (1) can be rewritten with Eq. (2) as
dP
1
= E g2 P g4 P 3 g6 P 5 ,
0
dt
2

(3)

where dimensionless time t0 = t/ is used. Eq. (3)

is solved numerically by using a Runge-Kutta method.
With a given electric-field value of E(t0 ) and a given polarization value of P (t0 ), the change of polarization dP
is calculated from Eq. (3) after a very short time interval dt0 . The polarization value after dt0 is given as
P + dP = P (t0 + dt0 ). As the electric field changes sinusoidally, the ferroelectric hysteresis loop is obtained from
the polarization as a function of electric field.
The hysteresis-loop obtained agreed well with experimental results, except for the electric field. The simulated coercive field is much smaller than the experimental result, so that the electric field is re-scaled in the
simulated results [12]. The discrepancy between simulated and experimental coercive fields in LD theory is
well known and attributed to the ferroelectric domain dynamics [13]. In LD theory, all the ferroelectric dipoles are
assumed to be switched simultaneously together. In real
experiments, however, the ferroelectric materials consist
of domains which are switched easily in a much lower
electric field, so that the experimental coercive field is
much smaller than the theoretical one. In the simulation, the last term of Eq. (2), 12 EP , is multiplied by
the electric-field parameter, , in view of this issue, so
that Eq. (2) is rewritten as
1
1
1
1

G(P,
E) = g0 + g2 P 2 + g4 P 4 + g6 P 6 EP,(4)
2
4
6
2

2.23 109 Jm5 /C4 , and g6 = 3.96 1010 Jm9 /C6

[2].
The polarization-reversal switching responses with
pulse electric field, which are crucial properties for
FeRAM application, are also simulated as shown in Figure 2. The applied pulse trains are shown in the inset of
Figure 2. For the switched response, the write pulse is
applied negatively and the read pulse is positive. Positive write pulse was used for the non-switched response.
Pulse-current responses were obtained at a point denoted
A. The simulated results agreed well with experimental results [1]. From the difference between the switched
and non-switched responses, the ferroelectric switching
responses are obtained. The simulated hysteresis loops
and switching-current responses agree well with experimental results [7,12].

2. Partial-switching response

On decreasing the operating voltage of an FeRAM device, full switching is hardly obtainable. For full switching, the pulse height should be about 2 or 3 times larger
than the coercive field. However, even with a smaller
electric field, a part of the polarization is switched. The
switching responses with pulses of which the electric
fields are around the coercive field could be simulated
with the LK equation as shown in Figure 3 as an example. The parameters used in this example are g2 = 1,
g4 = 1, and g6 = 1 [14].

3. External stress effects

Ferroelectric thin film capacitors are inevitably exposed to a variety of stresses in fabrication and device
structure, so that the simulation of external stress effects
in FeRAM devices is essential to optimize the FeRAM
device design, and electromechanical properties of PZT

and Eq. (3) as

dP
1
= E g2 P g4 P 3 g6 P 5 .
0
dt
2

(5)

III. RESULTS
1. Application of LK equation in ferroelectric
switching

Figure 1 shows a simulated hysteresis loop calculated

from the parameters of BaTiO3 . Parameters used in
this simulation are g2 = 5.94 107 Jm/C2 , g4 =

Fig. 2. Simulated pulse-switching current response for

BaTiO3 at 20 C. Inset shows applied-electric-field profiles.

Landau-Khalatnikov Simulation Study Tae Kwon Song

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Fig. 3. Simulated hysteresis loops by LK equation with

various electric fields.

Fig. 5. Ferroelectric hysteresis loops of various shapes,

simulated with parameters shown in Table 1.

ternal stresses of 240 MPa agreed well with experimental

results, as shown in Figure 4 (b) [17]. In this simulation,
the coupling between external stress and polarization is
considered as a term Q012 (12 + 22 )P 2 in the free energy

density functional G(E,

P, ).
1
1
1

G(E,
P, ) = g0 + g2 P 2 + g4 P 4 + g6 P 6
2
4
6
1
EP Q012 (12 + 22 )P 2 ,
2

Fig. 4.
(a) Ferroelectric hysteresis loops of a
Pb(Zr0.52 Ti0.48 )O3 thin-film capacitor with and without external stresses. (b) Simulated hysteresis loops with LK equation with external stresses.

films are important for microelectromechanical-systems

application [15]. The effects of external stresses on
the ferroelectric properties of Pb(Zr0.52 Ti0.48 )O3 (PZT)
thin-film capacitors have been reported [16]. Under compressive stress the polarization and coercive field are increased, but they are decreased under tensile stress as
shown in Figure 4 (a).
The simulated hysteresis loops with and without ex-

(6)

where g2 = 4.48 108 Jm/C2 , g4 = 1.3 1010

Jm5 /C4 , and g6 = 0 Jm9 /C6 . The electrostrictive parameter Q012 is 9.23 1010 m7 /JC2 . Nonlinear coupling of 2 P 2 between stress and polarization P is
imposed, instead of linear coupling of P 2 [2]. The nonlinear electrostrictive parameter obtained from the perovskite BaTiO3 single-crystal result well explains the results for PZT thin film [18].
In experimental results, 6 % change of polarization
under tensile and + 7 % under compressive stresses are
reported, and 9 % and + 8 % changes are simulated
with 240 MPa. However, the coercive-field results are
far different: less than 8 % changes are observed in experiment, but more than 25 % changes are simulated.
This discrepancy may come from the measurements of
hysteresis loops. The measured hysteresis loops at high
field are different from simulated ones because of leakage currents as shown in Figure 4. The measured coercive field with leakage current is usually overestimated
in comparison with the real coercive field.

4. The relation between hysteresis loop shape

and pulse-current response

An alternative polarization reversal switching model

of nucleation-limited switching (NLS) was introduced

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Journal of the Korean Physical Society, Vol. 46, No. 1, January 2005

Table 1. Simulation parameters for LK equation for the

hysteresis loops in Fig. 5.
g2 (Jm/C2 )
A; Square 2.0 109
B
2.0 103
C; S-shape 2.0 103

g4 (Jm5 /C4 )
2.4 109
2.4 109
2.4 109

g6 (Jm9 /C6 ) 
4.2 1010 2000
4.2 1010 2000
4.2 1010
500

Fig. 6. Switching-current responses of differently-shaped

hysteresis loops.
Fig. 7. Normalized switching polarizations calculated from
the switching-current responses of Fig. 6.

recently to explain a strong qualitative disagreement

of experimental results with the predictions of the
Kolmogorov-Avrami-Ishibashi (KAI) approach [19, 20].
In the KAI model, the switching kinetics is basically governed by the dynamics of domain coalescence and the
switching is performed in a 1-decade interval of time. In
the experimental results, however, the switching is performed in an 8-decade interval of time. The NLS model
assumes that the ferroelectric film consists of independently switching regions and polarization reversal in each
region is limited by domain nucleation.
The relation between the ferroelectric-hysteresis-loop
shape and pulse-switching response is studied in connection with the NLS model. A square-shaped hysteresis
loop would have almost the same coercive field in each
region, but an S-shaped hysteresis loop for ferroelectric
materials consists of regions where the coercive fields are
far different from each other. Each region is switched
at different coercive fields, and different coercive fields
result in the S-shaped hysteresis loop. Under a given
electric field, the regions of lower coercive fields would
be switched rapidly, but the regions of higher coercive
fields would be switched slowly, so that all the ferroelectric film would be switched in the several-decades interval
of time.
Various hysteresis loops of different shapes were obtained with parameters shown in Table I. The squareshaped hysteresis loop A is obtained with almost the
same parameters of BaTiO3 . The hysteresis-loop shape
strongly depends on the parameter g2 . With a different

g2 value, the S-shaped hysteresis loop B is obtained, but

the coercive field is far different, so that the electric-field
parameter  is also changed and the hysteresis loop C
is obtained.
Figure 6 shows pulse-switching responses for the various hysteresis loops simulated with the same method as
in Figure 2. As expected, the S-shaped hysteresis loop
switched much more slowly than the square hysteresis
loop, even though the apparent coercive fields are the
same. Switching dynamics, i.e. the time evolution of polarizations, look like similar results, as shown in Figure 7
(a). In the log-scaled plot of Figure 7 (b), however, each
response has a different switching time but is switched
in a 1-decade interval of time.
From LK simulation results, it is decided that the KAI
model explains the switching dynamics well independent
of hysteresis-loop shape. Another mechanism, such as
poling, would be a reason for the long switching interval
in the NLS model.

IV. DISCUSSION
LK simulation is an easy and useful method to understand the switching properties for FeRAM application.
The switching phenomena in various electric fields are
easily obtained and external stress effects are well studied. Since LK simulation is based on a phenomenological

Landau-Khalatnikov Simulation Study Tae Kwon Song

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theory, it has some limits. This phenomenological simulation does not say anything about the microscopic mechanisms of various properties of ferroelectric thin films.
For the long-term reliability issues such as fatigue, retention, and imprint, new coupling terms should be introduced. Pulse-width-dependent ferroelectric properties such as the poling process are hard to treat in this
simulation. To investigate these reliability issues, new
terms such as odd-power polarization P 3 were introduced
[7,10].

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V. SUMMARY
Ferroelectric switching properties such as hysteresis
loops and pulse current responses are simulated with the
aid of the LK equation. The LK simulation is proved to
be an easy and useful method to study switching properties of ferroelectrics and to understand FeRAM operation under various conditions. Partial switching and
external stress effects are studied. The relation between
the hysteresis-loop shape and pulse-switching responses
is investigated. The switching responses are well expressed with the conventional KAI model independent
of hysteresis-loop shape.

ACKNOWLEDGMENTS
This work was supported by Grant No. R01-2000-00000029-0 from the Basic Research Program of the Korea
Science and Engineering Foundation.

REFERENCES
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