Bipolaron Model of Room Temperature Superconductivity

for Oxidized Polypropylene

Liang-You Zheng , Ying-Nan Chiu and Shan T. Laia,b)

Center for Molecular Dynamics and Energy Transfer
Department of Chemistry
The Catholic University of America, Washington, DC 20064

a)
Vitreous State Laboratory
The Catholic University of America, Washington, DC 20064, USA
b)
To whom requests for reprints should be addressed
E-mail:shantaol@vsl.cua.edu

1
Abstract

In this paper, a superconductivity mechanism---Bipolaron model for oxidized

polypropylene at room temperature is proposed. The results agree with the
experiments. The calculation of critical temperature is Tc= 348K. It also
coincides with the prediction Tc~300K --- 400K by V.L.Ginzburg 8) .

Introduction

Some years ago, one of the authors has proposed that if we want to raise the Tc of
superconductivity we must search for the one-dimension superconductors 1).
Now, we have found this superconductor-----oxidized polypropylene 2). The features of
this superconductor are as follows:

(1). Zero resistance.

(2). The absence of heat generation which a strong current flows through the channel.
(3) Very high conductivity, the lower limit of a conductivity as
12 14
σ  10 −10 s.cm-1 (at 1—300K ) and
11 12
σ  10 −10 s.cm-1 ( at 300—700 )
6
(the usual materials σ ≈ 10 s.cm-1 )
(4) High critical temperature Tc
(5) One dimensional ferromagnetic behavior

We can explain these properties using the two-site small bipolaron model. Especially
the coexistence of one dimensional superconductivity and one dimensional
ferromagnetic behaviors.

Bipolaron Model

According to G. Geushens, C. David and Ternay 3)

the structure of the oxidized
polypropylene is

----- [ —C—CH--] n---------


CH3

2
We propose a model of two site small bipolaron. Just as SSH model 4) we write down
the Hamiltonian

H=- ∑n,s t n+1,n ( Cn +1,s Cn,s + Cn,s Cn +1,s )

+ +

1
( un +1−un) 1
2
+ ∑K
2 n
+ ∑
2 n M u n
2
n

= He + Ha. (1)
The meanings of all symbols are the same as those in the SSH mode4)

After considering the spin, we obtain

He =-
∑ t
n n +1,n
( C C +C C
+
n +1 n
+
n n +1
)
( )
1 0
0 0

∑t C)(
+ +
-
n n +1,n
(C n +1 Cn + C n n
0 0
0 1 ).
(2)

Equation (2 ) represents that there are two ground states for oxidized polypropylene.
One is corresponding to spin up, another is corresponding to spin down.

↑ ↑ ↑ ↑----------↑ ↑ ↑ ↑
↓ ↓ ↓ ↓--------↓ ↓ ↓ ↓

Next, we deal with the charged bipolaron. For this, the state of spin down are the
same as the state of spin up. We write down the Hamiltonian as follows:

t n+1,n = t 0 + α ( un +1 − un ) (3)

d t n +1,n
α=− . (4)
dx

So that

H= ∑ [t n 0
−α ( u − u ) ] (C
n +1 n
+
n +1 C +C C
n
+
n n +1 )

3
 1
∑ h ω (a a
+
+ q q q
+ ) (5)
q
2

and

h
u =∑
+ i 2 πqna
(a q + a − q)e . (6)
n q
2 NM ω q

If we use “o” indicating the lattice site of atoms of odd number and
“ e “ indicating the lattice site of atoms of even number, we take the
transformation

1
∑ (C + C )e
o e i 2 πkna
C no
=
N k k k

1
∑ (C − C )e
o e i 2 πkna
C ne
=
N k k k . (7)

Therefore, we have the Hamiltonian in momentum space

H = ∑ E (k )(C C + C C )
e+ e o+ o
e k 0 k k k k

- ∑ k ,q B kq(a q + a −q)(C k
+ e+ e o+ o
C +C C )k k k (8)

Where

E (k )= − 2 t
0 0
COS (2 πka)

h
B = 2αCOS (2 πka) (i 2 πqa) (9)
kq
2 NM ω q

under the limit of the long wave length.

We note that
e+ e o+ o e o +
C C +C C
k k k k
= N k
+ N k
= BB k k
( 10 )

Therefore, we have

4
 = ∑ k [ E 0(k )− H k]B k B k
+
H B
( 11 )
where

H = ∑ B (a + a
+
k q kq q −q
). ( 12 )

The total Hamiltonian rewrite as

∑ [E ] B B + ∑ ω a a + 21 
+
(k ) − H k
+
H= q q q q
k 0 k k

( 13 )

Now, let us make a transformation5)

T −S S
H =e He
(14)

where

B
S = ∑ k ,q
ω
(a +a ) B B
k ,q

q
q
+
−q
+
k k
.

(15)
In that case, we obtain

1
= ∑ k [ E 0(k )− ∆]B k B k + ∑ h ω (a a
T + +
H q q q q
+ )
2
( 16 )

here
2

B k ,q
∆ = ∑q
.
 ωq
(17)

Here ∆ is the binding energy of two polarons.

The calculation of Tc

If we regard the material of oxidized polypropylene as a system of

bipolaron we can use grand canonical ensemble to calculate the Tc just as

5
our previous article 6). In that case, we have

µ
T = (18 )
c
k B

where µ is chemical potential and kB is Boltzmann constant.

After considering the modification of µ with the temperature we obtain

T = k 3.31  n
1 2
3 ,
**
m
c
B
(19 )

**
where m is the mass of bipolaron and the n is the concentration
of Bipolaron. This result agrees with A.S. Alexandrov 7)

Discussion

(1). According to the data given by L.N. Grigorov 2) , µ = 10---30 eV and

Eq. ( 18 ) we obtain the critical temperature

Tc= 348K ( 20 )

It coincides with the prediction Tc~ 300K—400K by V.L. Ginzburg 8).

(2) Using the value of room temperature T=300K and Eq. ( 19 ) we

obtain the effective mass of bipolaron
**
m = 10 me ( 21 )

So , m
*
= 5 m
e ( 22 )

For comparison this result with the polyacetylene, the mass of soliton of
polyacetylene is m =6me 4). Therefore, for quasiparticle ( polaron or soliton )
*

the effective mass are almost the same.

We conclude that the bipolaron mechanism can explain the result of

experiments very well for the superconductivity of oxidized polypropylene.

6
Especially, the co-existence of one dimensional superconductivity and
one dimensional ferromagnetic behaviors.

7
References:
1). Liang-You Zheng,
“On the prospect to raise the Tc of superconductivity
in the research of high temperature superconductors”, (Unpublished)

2). L.N. Grigorov, Philosophical Magazine B Vol.78, No.4 (1998)353-363;

L.N. Grigorov, O.V. Demicheva and S.G. Smirnova
Superconductivity 4( 2 ) ( February 1991 ) 345.

3 a). G. Geuskens and C. David, Pure and Appl. Chem. Vol.51 ( 1979 ) 233-240;
b) Andrew L. Ternay , Jr. “ Contemporary Organic Chemistry “ Second Edition
1979 W.B.Saunders Company. Philadelphia, London, Toronto.

4). W.P.Su, J.R.Schriffer, A.J.Heeger

Phys. Rev. Letts. Vol.42, No.25 (18 June, 1979) 169;
Phys. Rev. B Vol.22, No.4 ( 15 August, 1980 ) 2099.

5). G.D.Mahan, “ Many Particle Physics “, Plenum , New York , 1990.

6). Liang-You Zheng, Ying-Nan Chiu and Shan T. Lai,

Journal of Molecular Structure (THEOCHEM) 680 (2004) 37-39.

7). A.S. Alexandrov, J. Ranninger, S. Robaszkiewicz,

Phys. Rev. B Vol.33, No.7 ( 1 April, 1986 ) 4526.

8). V.L.Ginzburg, Physics—Uspekhi 43 (6) 573—583 ( 2000).