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Monte Carlo Simulation of 1D Heisenberg Model

Requirement A Boltzmann weight given by exp[- β E (C ) ] is


To use Metropolis importance sampling method to study associated with the microstate ‘C’. Metropolis Monte
1D Heisenberg model. Carlo approach will sample microstates from a micro
canonical ensemble, using importance sampling. The
Model Introduction idea is to select spin configurations randomly and
independently from the distribution:
Previous assignments dealt with Ising model which is an 1
example of spin systems with discrete spin orientations. P(C) = exp[- β E(C)] [4]
Ζ( β )
There are other models in statistical mechanics that do
not have discrete spin orientations like that of Ising
model. One such example is the Heisenberg model where
This is done by generating Markov chain and using the
the individual spins have continuous degrees of freedom.
Metropolis algorithm. The spin configurations are
The Hamiltonian for the simple 1D Heisenberg model is
generated using the manipulation of three spin
given as:
components in angular coordinates. A new spin direction
is chosen by randomly generating new spin components
H = − J . S i .S j [1] ensuring their unit magnitude. In the following sections I
i, j
concentrate on presenting the results of simulations.
In this model there are two dimensions that need to be
considered, firstly the dimensionality of the system and
How to calculate the required physical quantities?
secondly the individual spin dimensionality (spin
dimensionality). In our case the dimension of the model
Required macroscopic property is calculated by
is one and the spin dimensionality is three.
averaging over the ensemble constructed as per the
Metropolis algorithm. For example, energy is given by,
In discrete spin systems, the thermal excitations leading
to disordering cost a finite amount of energy. In contrast
systems with continuous spin orientations described by E(C) = -J S i (C ) S j (C ) [5]
i, j
Hamiltonian eqn.[1] have excited states that cost an
infinitesimal amount of energy.
The Heisenberg system has an order parameter with
multiple components and all the three components are
equally important. The order parameter is invariant
How to simulate Heisenberg spin system?
under global rotation and hence we need to keep track of
Let P(C) denote the probability that the Heisenberg spin its magnitude alone. The magnitude of order parameter is
system is in a microstate C. In a canonical ensemble of denoted as ‘m’. When the Heisenberg spin system is in
microstates, the configuration ‘C’ order parameter in the microstate
‘C’ is given as:
1
P(C) = exp[- β E(C)] [2]
Ζ( β )
m = M x2 + M y2 + M z2 [6]
Where the normalization (partition function) is given by 1
M α (C ) = S iα (C ) N = No. of spins
N i
Ζ( β ) = exp[− β E (C )] Z(ß) [3] Other macroscopic quantities of interest can be averaged
C
over an ensemble generated by the Monte Carlo
algorithm.
E(C) is the energy of the microstate C.
Let xi = x(C i ) be the value of a macroscopic variable x
when the system in the microstate C i . The macroscopic
variable ‘x’ can denote M, E, E 2 , M 2 etc. Let {x i : i = 1,
N} be ‘N’ successive values of ‘x’ generated by
Metropolis Monte Carlo after the system has
equilibrated. The average of ‘x’ can be evaluated over
the sample of size ‘N’, and is given as:

N
− 1
xN = xi [7]
N i =1

This in the limit of ‘N’ → ∞ gives x . From the


ensemble one can estimate all the macroscopic properties
of the Ising spin system like E , M , Specific heat is Plot [1]: Temperature variation of Internal Energy with
varying Lattice Sizes
given as:
2
δE E2 − E Temperature dependence of Order Parameter
Cv = = [8]
δT k BT 2 At high temperature, the spin system has high energy,
randomly oriented spins and hence smaller net order
And the magnetic susceptibility given by parameter close to 0.0. It is important to note that the
2
δM M2 − M order parameter never becomes equal to zero; this is due
χ= = [9] to the prominent effect of the finite size of the system
δT k BT
considered.

As the temperature is lowered the system transforms


from a random orientation state to an ordered state, it is
of interest to determine if such a change in the system is
Temperature dependence of Internal Energy a result of a phase transition or a simple cross-over
phenomenon.
From Hamiltonian eqn [1] the energy is lowest when all
the spins are aligned parallel to each other. It is seen that If there were a phase transition then as the temperature
the Heisenberg spin system at very low temperature, decreases one should observe two different phases with
k B T << J , will have low energy, aligned spins and unit characteristic order parameters. These two phases should
order parameter. distinctly exist for non overlapping temperature regimes.

The variation of internal energy with temperature is Plot [2] shows the variation of order parameter with
shown in plot [1]. As the temperature increases the temperature. At higher temperature the system is
energy of the system increases. The effect of varying the characterized by a near zero order parameter confirming
system size doesn’t get reflected in the behavior of the presence of disordered phase. Now as the
internal energy. For 1D model the lowest energy per temperature decreases the system moves into the ordered
particle possible in completely ordered state is E = -1 and state gradually with the order parameter approaching the
this can be seen from the plot. At higher temperature the value of unity at T = 0.0. In the plot there is no
system loses the order and the energy of the resulting confirmatory presence of an ordered phase for a distinct
random configuration approaches E ≈ 0.0 as seen in the finite temperature regime. This gives us an indication
plot. that the 1D Heisenberg model doesn’t have phase
transition, also this can be verified by seeing the specific
heat plot.
Dependence of order parameter on the system size is
observed in the plots. However for all the sizes the
monotonic increase of order parameter is observed with
decrease in temperature.

One cannot locate finite temperature regions where


ordered and disordered phases exist individually; rather it
is seen that the disordered phase gradually tends towards
the ordered phase at T = 0.0 thus ruling out the
possibility of any thermotropic phase transitions as the
system doesn’t show the presence of two distinct phases
as a function of temperature (except at T = 0.0).

Plot [3]: Temperature variation of Specific heat with varying


Lattice Sizes

Magnetic Susceptibility
Plot [4] shows the variation of magnetic susceptibility
with temperature. Magnetic susceptibility was calculated
using the eqn [9]. This plot also shows the effects of
finite sizes of smaller systems. For smaller system sizes
(N = 10, 20, 40) the magnetic susceptibility curve show
indication of a peak close to T = 0.0, but as the system
size is further increased to N = 80 this apparent peak
disappears. This gives us an indication that the system
Plot [2]: Temperature variation of Order Parameter with
varying Lattice Sizes doesn’t undergo phase transition.

Specific Heat

From eqn [8] the specific heat can be calculated for the
equilibrated ensemble for various system sizes. Plot [3]
shows the variation of specific heat with temperature for
various system sizes.

The effect of finite system size is best evident in this


plot. For smaller system size (N=10) the specific hear
curve apparently shows presence of a broad peak
centered at about T=0.25 (seen in the inset) but as the
system size increases this peak disappears and shows a
linear behavior near T =0.0 with C v → 1.0 . This again
indicates the absence of phase transition in this model.

Plot [4]: Variation of Magnetic Susceptibility with


Temperature
Finite Size Effects

1) Plot [2] shows the variation of order parameter with


temperature. With smaller systems (N=10, 20, 40) it is
seen that at higher temperatures, the order parameter
doesn’t go to the expected minimum of zero but always
remains above zero. This is due to the finite effect of the
system. Now as the system size increases the order
parameter approaches the expected value of zero.

2) Specific heat shown in plot [3] shows the artifacts


introduced due to smaller system sizes. In smaller
systems (e.g. N=10) the specific heat curve shows a
broad peak (indicating possibility of phase transition)
which actually is an artifact. This artifact disappears as
the system size is increased. And for larger systems
specific heat curve shows a slope of zero neat T = 0.0

3) In magnetic susceptibility plot [4] for smaller sizes


(N=10, 20, 40) there appears an artifact peak that shifts
towards T = 0.0 with system size. But as the size
approaches N=80 and above this artifact peak disappears
and susceptibility shows a monotonic variation with
temperature. A better estimate for true susceptibility can
be used , given as:

N
χ= m2 [10]
k BT

This definition ensures that ‘m’ goes to zero in the


thermodynamic limit.

~END~
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