1549380323-Statistical Mechanics Theory and Molecular Simulation

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Mean-field theory 619

β. The location of the thin solid line is determined using a procedure known as the
Maxwell construction, which states that the areas enclosed above and below the thin
line and the isotherm must be equal. Once the isotherms forT < Tcare corrected in
this manner, then the exponentβcan be calculated (see Problem 16.3).
In order to apply the mean-field approximation to the Ising model, weassume that
the system is spatially isotropic. That is, for the spin-spin coupling∑ Jij, we assume


jJijis independent of the lattice locationi. Since the sum in eqn. (16.3.4) is per-
formed over nearest neighbors ofi, under the assumption of isotropy,



jJij=z

J ̃,


whereJ ̃is a constant andzis the number of nearest neighbors of each spin (z= 2 in
one dimension,z= 4 on a two-dimensional square lattice,z= 6 on a three-dimensional
simple cubic lattice,z= 8 on a three-dimensional body-centered cubic lattice, etc.).
Absorbing the factorzinto the constantJ ̃, we defineJ=zJ ̃.
Next, we consider the Hamiltonian in the presence of an applied magnetic fieldh:


H=−


1


2



<i,j>

Jijσiσj−h


i

σi. (16.5.2)

The partition function is given by


∆(N,h,T) =


σ 1 =± 1


σ 2 =± 1

···



σN=± 1

exp




β


^1


2



<i,j>

Jijσiσj+h


i

σi






. (16.5.3)


To date, it has not been possible to obtain a closed-form expressionfor this sum in
three dimensions. Thus, to simplify the problem, we write the spin-spin productσiσjin
terms of the difference of each spin from the magnetization per spinm= (1/N)〈



iσi〉:
σiσj= (σi−m+m)(σj−m+m)
=m^2 +m(σi−m) +m(σj−m) + (σi−m)(σj−m). (16.5.4)

Sincem∼〈σ〉, the last term in eqn. (16.5.4) is a fluctuation term, which is neglected
in the mean-field approximation. If this term is dropped, then


1
2


<i,j>

Jijσiσj≈

1


2



<i,j>

Jij

[


−m^2 +m(σi+σj)

]


=−


1


2


m^2 NJ+Jm


i

σi, (16.5.5)

where the assumption of spatial isotropy has been used. Thus, the Hamiltonian reduces
to


H=−

1


2



<i,j>

Jijσiσj−h


i

σi≈

1


2


NJm^2 −(Jm+h)


i

σi, (16.5.6)

and the partition function becomes

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