Domain Structure in A Second-Neighbour Ising Chain: N. E. D. C
Domain Structure in A Second-Neighbour Ising Chain: N. E. D. C
Domain Structure in A Second-Neighbour Ising Chain: N. E. D. C
Two different methods of obtaining the partition function for a spin t open ended Ising
chain with interactions between nearest and second nearest neighbour spins are presented.
These are non-matrix methods, in that they do not require the diagonalization of a transfer
matrix, and they provide a useful representation for studying the analytical structure of the
partition function. The pair correlation fun13tions are also derived, using the second of these
methods. These correlation functions are utilized in a study of the ground state and the finite
temperature spin configurations. An interesting application of these results to the problem
of out-of-phase domain structure in binary alloys is discussed.
§ I. Introduction
The Ising chain is of interest in statistical mechanics because it can be
solved exactly and because it can be incorporated into some interesting problems
of statistical physics. This paper presents exact solutions for the partition func-
tion and pair correlation functions of a spin t Ising chain with both nearest and
second nearest neighbour interactions. The motivation for this work was two-
fold in nature.
Firstly, within a statistical mechanical context, it was our desire to obtain
methods of solving for the partition function and pair correlation functions of
an open ended*) spin t
chain of any length which did not rely upon the standard
matrix technique. The nearest neighbour Ising chain has so simple a solution
that in order to learn how to achieve this goal it is necessary to study a chain
with more than nearest neighbour interactions. Section 2 presents an inductive,
non-matrix method of solving for the partition function. There we present a
series representation which generates the appropriate polynomial solution for a
chain of arbitrary length. With this series representation we are able to see
the analytical structure of the partition function. Such transparency is not di-
2
rectly displayed by the matrix method which has been used in the pase), ) to
calculate the partition function.
Section 3 describes a second method. We present a difference equation for
the partition function and readily solve it to obtain a result in agreement with
that of § 2. In § 4 we calculate the pair correlation functions of Ising chain;
these results are new and are obtained using the difference equation method in-
An open ended Ising chain is one in which periodic boundary conditions are not imposed:
*)
J 1 and J 2 are the interaction strengths-with our sign convention a positive in-
teraction strength corresponds to a ferromagnetic interaction between spins. The
partition function, QN, is the sum over all zN possible spin configurations of the
function exp (- HN/kT):
N-1 N-2
i=1, 2, ···N-1.
There is a one-to-one correspondence between the sets {si} and {ti} because each
si is uniquely expressible· as a product of ti:
i>1.
The partition function becomes
ON=2N coshN- 1K1·coshN- 2K2·QN,
We must now expand the products in (3) and sum over each of the ti. It is
obvious that, since each ti can take the values + 1 and -1, the only terms of
the expanded form of the product which contribute to (3) are those which are
either independent of ti or contain ti twice (because t/ = 1) for each value of
z. The final expression for QN will be a polynomial in a and (3 whose first term
is unity; our problem is to determine the coefficients of the remaining terms.
If N is small the problem of finding the polynomials is trivial: the first
few are
We continue this sequence until a definite pattern emerges. We are then able
to write down the general form of QN:
QN= L;
(N-l)/2N-m-1(N -i-1 ) ( i-1)
L; a2m(3i,
m=O i=m m m-1
where [x] denotes the greatest integer <x. Using the identity ( t) = (L~A.)
and relabelling, we obtain
Now smce
the term
J. (N O) - 1 f dz
m 'IJ - 2ni J o ZN-2m(1-{ 3z)m(1-z)m +1 '
where the contour C encloses only the pole at the origin. Thus
The third term of the numerator makes no contributi on to the value of QN; we
can then evaluate QN by expanding the remainder of the integrand in terms of
partial fractions. Let
a={3+1,
the final result is then
ln Q=lim(N - 1 ln QN)
N--H:IJ
(5)
By applying the binomial theorem to (4) we obtain a more useful form of QN:
QN= (!!:__)N-1
2
{(Nff/2 ( N ) (b:) 2(1-l_) (N~/2( N -1 )(b:) r}.
2r+ 1 , a
r _
6)
(
r=O ' a 2r+ 1 ar=O
This result will be used when we later require an expression for QN where a
is replaced by its reciprocal , in which case b is imaginary.
N-1 N-2 .
+ a2-N :E {t1 II (1 + ati)
i=2
·II (1 + {3titi+l)}
i=2
{ti}
The second and fourth terms of (7) are zero because they contain an unpaired
t 1 ; if the indices of the remaining two terms are reduced by one we obtain the
result
(8)
Similarly,
(9)
where
and A, B are constants which depend on the boundary condition s-in this case
the expression s for Q2 and Q3 which were obtained earlier. Finally
QN= [ ({3 _ 1)2 + 4a2{3]-112 [A+ N _A-N_ {3 (A+ N-1_ A- N-1) J;
it is a simple matter to show that this reduces to ( 4), the result obtained from
the series method.
The correlation between the spins s~ and s~+r on a chain of length N is de-
fined as
Domain Structure zn a Second-Neighbour Ising Chain 1175
(11)
l-1 l-2
= 2-N :E {[II (1 + ati) ·II (1 + (Jtiti+l)] · (1 + (Jtl-ltl)
l+r-1 l+r-2
x [ II ti (1 + ati) · II (1 + (Jtiti+l)] · (1 + (Jtl+r-ltl+r)
i=l i=l
N-1 N-2
x [ II (1 + ati) · II (1 + (Jtiti+l)]}; (12)
i=l+r i=l+r
should the lower limit of any of the products in (12) exceed the upper limit
then that product is replaced by unity. (By definition ..78~ 82 = 0.) Since
ti (1 + ati) =a ( 1 + ~ ti)
we find that (12) can be expressed as
+ (3 (t?r+l
,J 8182 1 )Y,N+l-l-r
(~ 8182 + {32Y,l8182 g,r+l ( 1 )Y,N+l-l-r]
81828r.~r+1 a 8182 '
(13)
where we have defined the four spin correlation function .Y8:~;r 8 r• 1 as the obvi-
ous generalization of (11). (Note that .Y8~s 2 8 1 s 2 = 1 and Ys~s 2 8 2 s 8 =..7;1 8 8 . ) The cor-
relation functions and the QM are polynomials in a and {3, except where the
arguments of these functions are given explicitly as 1/a, in which case each a
in the polynomial is replaced by its reciprocal-as an example
+ (J g,r+lY,N+l-l-r + {32Y,l
8182 8182 8182 8182srsr+1Y,N+l-l-r]
g,r+l
8182 • (14)
Y,N _ a+(3..78~~
1
8182-
1 +a{JY,N-1
8182
since Q2 = 1 and ..78~8 2 =a. We let N~oo and define the quantity x as
II76 N. E. Frankel and D. C. Rapaport
X = lim .?8~82 ,
N~ao
Also
hence
Considering (16) we see that the spin index l appears only in the correla-
tion function Y'sz1 8 2 • It might be argued that by taking the limit z~oo and re-
placing Ysz182 by x we would obtain the correlation function for two spins both
of which are an infinite distance from the ends of the chain. This is in fact
the case, when both nearest and second nearest neighbour interactions are fer-
romagnetic (J1 and J 2 >0), but if either (or both) are antiferromagnetic there
is a tendency, as we shall soon see, for sublattices to appear for certain ranges
of J 1 and J 2, and the index l must be retained in order to indicate which par-
ticular su blattice is being considered,
Domain Structure in a Second-Neighbour Ising Chain 1177
Eio=Ewo=2J2'
<slsa)-
f1+ax , (18)
1 +af1x
aj1+x (19)
1 +af1x
For sufficiently small values of T, K 1 and K 2 are large, so
a= tanh Kl r v 1 - 2e- 2K + 2e- 4Kt,
1
/1 =tanh K 2 -1 +2e2K
rv 2
- 2e 4K 2
,
J2>-tJ1'
J2< -tJl;
in both cases <s1s 2) = 1 at zero temperature. If we now use these expansions In
the evaluation of the limits of (18) and (19) we see that to lowest order the
numerators and denominators are zero. On retaining the higher order terms we
find that at T = 0,
1178 N. E. Frankel and D. C. Rapaport
These results agree with those reached earlier, and also with those of Obokata
and Oguchi 5> which were obtained by taking the zero temperature limit of the
expression for the energy of the system.
I II
---lltf!ltt--- ---tttttttt--- ][ II
---11111111--- ---11111111---
Fig. 1. The allowed ground state (T=OoK) spin Fig. 2. The ground state phase diagram.
configurations.
I
T'=O~
I
I
-I
---
e=-0·48
-I
I 2 3 4 R 5 6 1 8
--4 R 5 6
-,...--
T'=o/
7 8
e=a·4a·
--- ... - - - - - - -
01-----~---~---~~~~~~---~---~
~~2~
-I
Fig. 3. The spin correlation function <stSl+R> Fig. 4. The spin correlation function <sss5+R>
for different values of the ratio p(=JdiJtD for different values of the ratio p(=J2/IJtl)
and the temperature T'(=kT/IJtD· J1>0. and the temperature T'(=kT/!JtD· Jt>O.
Domain Structure in a Second-Neighbou r Ising Chain 1179
T'=O ------c- -
e=-0·70 ~=·0·70
I
, I
\\_---'I
I A A I
I\ I \ I
I I \ \ I
€=-0·48 I € =·0·48 I \ \ I
ol--~1 ~~~~~~~~~--~\~--1~
I \ I
\ I
\ I
\I
3 4 R
v
5
-d.
I 2 3
v
7
T'=O A
I
A T'=O
T'=l·~ \
I r-T'=l·2
\ I
e=o·IO
-I
Fig. 5. The spin correlation function (slsl+R) Fig. 6. The spin correlation function (s5s5+R)
for different values of the ratio p( =J2/IJ1 !) for different values of the ratio p( =Jd!J11)
and the temperature T'(=kT/!J11). J1<0. and the temperature T' ( =kT/!Jd). J1<0.
§ 6. Numerical results
Using Eqs. (6), (15), (16) and (17), · we have numerically evaluated the
spin correlation function (sLsL+R> over a range of temperatures for both positive
and negative J1 and various values of the ratio p = J 2 /l J 1j. In Figs. 3 to 6 we
display the results obtained for L = 1 and L = 5; the graphs show how the cor-
relation between spins varies with the distance, R, between them-for various
values of the temperature T'=kTjjJll·
From the numerical results the general properties of the system may be de-
duced. When J 2 is positive the behaviour is qualitatively the same as the near-
est neighbour Ising chain: the ground state is ferromagnetic if J 1 >0 and anti-
ferromagnetic if J~ <O. For T>O the correlations are all positive for J 1 >0 and
oscillate in sign for J 1<O. Should J 2 be negative, the behaviour will depend
1180 N. E. Frankel and D. C. Rapaport
§ 7. Discussion
*> MosslO) has recently used the Friedel oscillatory potential to interpret the splitting of the
diffuse spots from Cu-Au alloys above Tc.
Domain Structure in a Second-Neighbour Ising Chain 1183
Acknowledgements
Appendix A
0 1 -1Q N,
-N-1-2
On being the partition function of a chain of N sites with second nearest neigh-
bour interactions. The spin correlation functions for the two systems are clearly
identical in form if the same change of variable is made.
1184 N. E. Frankel and D. C. Rapaport
Appendix B
We can extend the difference equation method to the third neighbour pro-
blem. If - J3sisi+S is the interaction between spins si and si+S we modify the
Hamiltonian in (1) by the addition of a term
N-3
~Js ~ SiSi+S.
i=l
N-2 N-3
X II (1 + {3sisi+2) . II (1 + rsisi+S)}'
i=2 i=2
r
where =tanh (f3Js) (no advantage is gained by expressing QN In terms of the
ti variables). We introduce the functions
(1-E)QN+a{3XN+arYN+f3rZN=0,
aQN+ ((3-E)XN+rYN+a(3rZN=0,
f3QN+ aXN+ (af3r- E) YN+ rZN= o ,
a{3QN+XN+f3rYN+ (ar-E)ZN=O.
These reduce to a single fourth order difference equation