Ex 5958: Mean field approximation for the Model of ferroelectricity

Submitted by: yair massury

The problem:
Model of ferroelectricity: Consider electric dipoles p on sites of a simple cubic lattice which point
along one of the crystal axes, h100i. The interaction between dipoles is
U=

p1 p2 3(p1 r)(p2 r)/r2

40 r3

where r is the distance between the dipoles, r = |r| and 0 is the dielectric constant.
(a) Assume nearest neighbour interactions and find the ground state configuration. Consider
either ferroelectric (parallel dipoles) or anti-ferroelectric alignment (anti-parallel) between
neighbours in various directions.
(b) Develop a mean field theory for the ordering in (a) for the average polarization P at a given
site at temperature T: Write a mean field equation for P (T ) and find the critical temperature
Tc .


P
(c) Find the susceptibility = E
at T > Tc for an electric field E||h100i, using the mean
E=0
field theory.
The solution:
(a)

U=

2
pi pj 3(pi rij )(pj rij )/rij
40 r3

(1)

For rij ||pi , pj which means that rij ||

x we get:

Uij =

2pi pj
40 r3

(2)

The lowest enrgy is when pi = pj so that Uij = 2U0 where U0 =

For

rij pi , pj which means that

Uij =

p2
40 r3

rij
x we get:

+pi pj
40 r3

(3)

So pi = pj (in opposite direction),which means that Uij = U0

The ground state:

FIG.1 We have a chain in x

direction as each chain four
different neighboring chains with opposite polarity.

(b) Lets define two sublattice:

A=positive moment +, which means that y+z=even.
B=negative moment -, which means that y+z=odd.
we get the Hamiltonian:

rij ||
x

H = 2Uo

rij ||
rij ||
X pi pj
Xy pi pj
Xz pi pj
X
+ Uo
+ Uo
Eelctric
pi
2
2
2
p
p
p

iA,jA

iA,jB

iA,jB

iA,iB

rij ||
x

rij ||
y ,
z
X
X
X pi pj
X
pi pj
+
2U

E
p

E
pi
o
i
el
el
p2
p2

= 2Uo

iB,jB

iB,jA

iA

(4)

iB

we make a mean field approximation (not curfully) to get:

HA = 2Uo PA

X pi
X pi
X
+
2U
P

E
pi
o
B
el
p2
p2

(5)

X pi
X pi
X
pi
+ 2Uo PA
Eel
2
2
p
p

(6)

iA

HB = 2Uo PB

iA

iB

iA

iB

iB

H = HA + HB to find the enrgy for one site .we took pA = pB (in opossite direction)


1
P2
PB (PA )
P2
PA (PB )
E=
Eel PA 2U0 2 + 2U0
Eel PB
2U0 2 + 2U0
2
P
P2
P
P2
E = 4Uo
(7)
In zero filed we look at average filed Pav
MF
HE=0
= 4U0 Pav

Pav =

+pe
e

4U0 Ppav

4U0 Ppav

pi
p2

(8)

pe

4U0 Ppav

4U0 Ppav

+e



Pav
= p tanh 4U0
p

(9)



To find Tc we take the first order in tanh 4U0 Ppav
Pav
Pav
= T anh(4U0
)
p
p

Pav
Pav
= 4U0
p
p
2

Tc = 4U0

(10)

To see the behaviour near the critical temperature:

( Ppav )3
Pav
Tc
Pav 2
1 Pav Pav
4U0
= T anh (
)=
+
3( 1) = (
)
p
p
p
3
T
p
P
E E=0

(c) To Find the susceptibility =

tanh1 (x)

(11)

at T > Tc . we take first order in Taylor Series for


PA
PB
PA = p tanh 2U0
2U0
+ Ep
p
p


PA
PB
2U0
+ Ep
PB = p tanh 2U0
p
p


PA
PA
= 2U0
tanh
p
p


PB
PB
tanh1
= 2U0
p
p
PA
PA
= 2U0

p
p
PB
PB

= 2U0
p
p
1

P =

N
(PA + PB )
2

P
|E=0 = N p2
E

PB
p
PA
2U0
p
PB
2U0
p
PA
2U0
p
2U0

(12)

+ Ep
+ Ep
+ Ep
+ Ep

P = N Ep2

(13)

(14)

(15)