World Applied Programming, Vol (2), Issue (8), August 2012.

409-414
ISSN: 2222-2510
2012 WAP journal. www.waprogramming.com

Monte Carlo Simulation and Magnetic Properties of

Azam Hematabadi

Ali Bakhshayeshi

Mohammad Ghazi

Physics Department,
Payame Noor
University,
19395-4697 Tehran.
[email protected]

Physics Department,
Shahrood University of
Technology
Shahrood, Iran

Department of Physics,
Mashhad branch,
Islamic Azad university,
Mashhad, Iran

Physics Department,
Shahrood University of
Technology
Shahrood, Iran

Abstract: The model explained above is simulated using Monte Carlo methods with a heat-bath algorithm
and single-spin flipdynamics. The trial step for a spin update is a spin flip for the Ising model and a random
choice of a spin vector for the Heisenberg model. We perform typically Monte Carlo steps per spin (MCS) for
a calculated susceptibility and magnetization for one particular configuration of the defects.We have used the
Monte Carlo simulation technique to investigate the temperature dependence of magnetization and
susceptibility and effect of size in the curie temperature also investigated. The results are in a good agreement
with experiment.
Key word: Nanoparticles, Monte Carlo, L10 FePt, Size, Susceptibility
I.

INTRODUCTION

There has been much interest in L10 ordered FePt nanoparticles due to the large magnetocrystalline anisotropy
requiredfor ultrahigh-density magnetic recording media[1].Since the phenomenon of super paramagnetism has been
identified as one of the major limits for the conventional magnetic recording [2], significant research effort has been
invested in the development of materials with large magnetic anisotropy energy (MAE).Recent progress in the
fabrication and characterization of granular and nanoparticulate FePt [3] put seven more emphasis on the
understanding of the giant MAE of FePt and its temperature dependence. The latter property appearsto be of critical
importance for the development of future high-density magnetic-recording systems in particular for heat-assisted
magnetic recording [2].
The proposed model deals with mixed localized and itinerant magnetic moments and thus bears general importance as
large anisotropy is achieved by combining strongly magnetic elements with non-magnetic ones, where the latter have
large spin-orbit coupling. The chemically ordered L10 phase of FePt has large uniaxial MAE with the first-order
anisotropy constant K1 108 erg/cc [2],. It is well established that in this naturally layered ferromagnet the large MAE
is mainly due to the contribution from having large spin-orbit (s-o) coupling [4-6]
FePtnano particle is modeled in the ordered L10 phase using an effective, classical spin Hamiltonian which was
constructed earlier[7]on the basis of first-principles calculations of noncollinear configurations, calculated using
Monte Carlo method[8]and site-resolved magnetocrystalline anisotropy[9]. It was shown that thisimportant feature of
the electronic interactions can be takeninto account within a model of localized Fe magnetic momentswith modified
effective magnetic interactions. In additionto the commonly considered Heisenberg exchange andsingle-ion
anisotropy, these modified effective magnetic interactionsinclude an isotropic exchange term dependent onthe Pt intraatomic exchange as well as an effective exchange mediated two-ion anisotropy[7].Both isotropic and anisotropicextra
terms are positive and thus stabilizing ferromagneticorder along the 001 direction[10].Furthermore, the same model
has been used to investigate the thermally activated switching behavior of FePt nanoparticles[11]. This model is used
here to investigate the magnetic properties of FePt. The full Hamiltonian, described in detail
in Ref.[7], is

409

Hadi Arabshahi et al., World Applied Programming, Vol (2), No (8), August 2012.

( J i j S i .S

+ d (i j2 ) s iz s

z
j

i j

i j

0
4

where the Si =

(0)

( s iz ) 2

3 ( S i .e i j ) ( e i j .S
r

) S i .S

3
ij

B .S

mi
are three-dimensional reduced magnetic moments of unit length. The first sum represents the
ms

exchangeenergy of magnetic moments, and the two-ion anisotropyis not restricted to nearest-neighbor interactions.
(2)

The exchange interactions J ij and consequently also dij have to be taken into account up to a distance of five unit
(2)

cells until they are finally small enough to be neglected. The two-ion anisotropy parameters dij are the dominant
(0)

contribution tothe uniaxial anisotropy energy in relation to the single-ion term d , which is represented in the second
sum. Furthermore,these interactions depend on the orientation in thecrystal. The third sum represents the dipole-dipole
coupling, while the last one is the coupling of the magnetic moments toan external field, where B is the induction. FeFe exchangeinteractions within the Fe planes are stronger than those perpendicularto the planes via the Pt sites. As was
shown in Ref. [12,13].
FePt alloys have been studied for decades because oftheir important applications in permanent magnetism.[1418].Self-assembling FePt nanoparticles have attracted more researchersdue to their excellent hard magnetic properties
andpotential application on ultrahigh density magnetic recording media.[19-21] In this article, we report direct selfassembly of FePt nanoparticles into monolayer, submonolayer, and multilayer nanorings.[18-22]
Here in this paper, We discuss magnetic nanoparticle, how the FePt alloys behaviors under bulk conditions, become
revealed in nanoparticles where the surface to volume ratio becomes increasingly important. The free energy variation
method based on the Metropolis Monte Carlosimulation in the framework of a nearest neighbor Icing model is
considered. The former, as energy minimization tool, has been already successfully employed in describing the
magnetic properties of this kind of systems where theoretical magnetic phase diagrams are in good agreement with the
experimental ones [23-25].We Also describe the theoretical model and we emphasize the importance of a relationship
for the average nearest neighbor coordinationnumber as function of the particle size. We present our numerical results
which is in agreement with ref.[26]. The model explained above is simulated using Monte Carlo methods with a heatbath algorithm and single-spin flipdynamics. The trial step for a spin update is a spin flip for the Ising model and a
random choice of a spin vector for the Heisenberg model. We perform typically Monte Carlo steps per spin (MCS)for
a calculated susceptibility and magnetization for one particular configuration of the defects.

II.

TEMPERATURE DEPENDENCE OF MAGNETIZATION AND SUSCEPTIBILITY

We use systems of 3D with with periodic boundary conditions in the plane. We in the following we will use reduced
temperatures T=

K BT
. The FePt system is well established as having exceptional properties in the bulk,[27]. Along
J AF

with the technological prospects there are intrinsic properties affected by the reduction of particle size such as the
anisotropy, the saturation magnetization and Curie temperature.[28,29]According to the simulation presented in
figures 1,2 the curie temperature of system in order to reduced temperature is equal to 5/6 we have :

J
11.45*10-3*1.60218*10-12 (erg)
T reduced
*5.6 744.05K
erg
KB
1.3807*10-16 (
)
K

The phase transition occurs in the temperature equal to 744 which is in agreement with experimental value 750760[30].

410

Hadi Arabshahi et al., World Applied Programming, Vol (2), No (8), August 2012.

0.45

3D(20)
MCS(16000)
K=J
X=.50

0.40
0.35

Magnetization

0.30
0.25
0.20
0.15
0.10
0.05
0.00
0

Reduced Temperature

Fig.1. Reduced temperature dependence of magnetization

3D(20)
MCS(16000)
K=J
X=.50

45
40
35

(sus)

30
25
20
15
10
5
0
1

(Reduced Temperature)

Fig.2. Reduced temperature dependence of Susceptibility in 3D

erg
emu
) and large saturation magnetization (1150
), it is expected to apply to a highdensity
3
cm
cm3

perpendicular magnetic recording media. However,the microscopic magnetic properties are hardly known. Featoms on
the c-plane have parallel magnetic moments, butmagnetic moments of induced Pt atoms are not clear. Firstprinciple
calculation has led that Fe and Pt atoms haveparallel magnetic moments. We tried to determine thedirection of Pt spins
from the magnon dispersion relation in FePt alloy through neutron inelastic scattering measurements [31].

III.

CURIE TEMPERATURE IN 2-D AND 3-D

The temperature dependence of magnetization is shown in figure3 the results show thaqt the curie temperature of 3D
system is bigger than 2D one with equal parameters.

411

Hadi Arabshahi et al., World Applied Programming, Vol (2), No (8), August 2012.

This might be due to the more spin sites present in the 3D system with more volume. So a 3D system needs more time
and stronger heat bath to reach to super paramagnetic limit so its curie temperature is higher. Our result show the
difference between curie temperature for 3D (Tc (3d)=7) and 2D (Tc (2d)=5.7) system. It shows Tc for 3D is greater
than Tc for 2D.
0.50

2D
3D
MCS:29000

0.45
0.40
0.35

Magnetization

0.30
0.25
0.20
0.15
0.10
0.05
0.00
-0.05
2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5 7.0 7.5 8.0 8.5 9.0

Reduced Temperature

Fig.3. Curie temperature in 2-D and 3-D

IV.

SIZE DEPENDENCE OF MAGNETIZATION AND CURIE TEMPERATURE

A small decrease in Tc has been observed with decreasing size. The data follow a power law in close agreement with
the prediction of the variation of Tc with particle size[32]. Magnetization variation in order to reduced temperature is
shown in figures 4 and 5 with different system size . The results show an increase in curie temperature as system size
increases.When the system size increases we have more spins and a larger volume, so we need more time to overcome
the system interactions and phase transitions will occur for the higher curie temperatures.

0.4

Magnetization

0.3

0.2

0.1

size=25
size=20
size=30

0.0

Reduced Temperature

412

10

Hadi Arabshahi et al., World Applied Programming, Vol (2), No (8), August 2012.

Fig.4.Magnetization variation in order to reduced temperature

10

3D
K=J
X=.50
MCS=40000

Tc

4
20

25

30

size

Fig.5.Size dependence of Curie temperature

CONCLUSION

The magnetic properties of FePt discussed in this paper. The free energy variation method based on the Metropolis
Monte Carlosimulation in the framework of a nearest neighbor Ising model is considered. The former, as energy
minimization tool, has been already successfully employed in describing the magnetic properties of this kind of
systems where theoretical magnetic phase diagrams are in good agreement with the experimental ones. We have used
the Monte Carlo simulation technique to investigate the temperature dependence of magnetization and susceptibility
and effect of size in the Curie temperature also investigated. We also describe the theoretical model and we emphasize
the importance of a relationship for the average nearest neighbor coordination number as function of the particle size.
The model explained above is simulated using Monte Carlo methods with a heat-bath algorithm and single-spin flip
dynamics. The results are in a good agreement with experiment.

REFERENCES
[1]
[2]
[3]
[4]
[5]
[6]
[7]
[8]
[9]
[10]
[11]
[12]
[13]

O. A. Ivanov, L. V. Solina, V. A. Demshima, and L. M. Maget, Phys. Met. Metallogr .35, 8, (1973).
Weller D. and Moser A., IEEE Trans. Magn., 36, 10(1999).
Sun S. et al., Science, 287 (2000).
Daalderop G. H. O. et al., Phys. Rev. B, 44 ,12054, (1991); Sakuma A., J. Phys. Soc. Jpn., 63 ,3053, (1994); Oppeneer P., J. Magn.
&Magn.Mater.,188 ,275, (1998); Ravindran P. etal., Phys. Rev. B, 63, 144409, (2001).
Solovyev I. V. et al., Phys. Rev. B, 52, 13419,(1995).
Shick A. B. and Mryasov O. N., Phys. Rev. B, 67 ,172407, (2003) .
O. N. Mryasov, U. Nowak, K. Guslienko, and R. W. Chantrell, Europhys.Lett.69, 805 ,(2005).
O. N. Mryasov, V. A. Gubanov, and A. I. Liechtenstein, Phys. Rev. B 45, 12330 ,(1992).
A. B. Shick and O. N. Mryasov, Phys. Rev. 67, 172407, (2003).
O. N. Mryasov, J. Magn. Magn.Mater.272-276, 800, (2004).
U. Nowak, O. N. Mryasov, R. Wieser, K. Guslienko, and R. W. Chantrell, Phys.Rev. B 72, 172410 (2005).
D. Hinzke, U. Nowak, O. N. Mryasov, and R. W. Chantrell, Appl. Phys. Lett. 90, 082507, (2007).
D. Hinzke, N. Kazantseva, U. Nowak, O. N. Mryasov, P. Asselin, and R. W. Chantrell1 Physical Review B, vol. 77, Issue 9, id. 094407
(2008).

413

Hadi Arabshahi et al., World Applied Programming, Vol (2), No (8), August 2012.

[14]
[15]
[16]
[17]
[18]
[19]
[20]
[21]
[23]
[24]
[25]
[26]
[27]
[28]
[30]
[31]
[32]

H. Arabshahi, Modern Physics Letters B, Vol. 20, No. 13, pp. 787-794, (2006).
H. Lipson, D. Shoenberg, and G. V. Stupart, J. Inst. Met.67, 333 ,(1941).
A. D. Franklin, A. E. Berkowitz, and E. Klokholm, Phys. Rev. 94, 1423-(1954).
K. Watanabe and H. Masumoto, Trans. Jpn. Inst. Met.9, 627 ,(1983).
Y. Tanaka, N. Kimura, K. Hono, K. Yasuda, and T. Sakurai, J. Magn.Magn. Mater.170, 289 ,(1997).
S. Sun, C. B. Murray, D. Weller, L. Folks, and A. Moser, Science 290,1131 ,(2000).
S. Sun, E. E. Fullerton, D. Weller, and C. B. Murray, IEEE Trans. Magn.37, 1239 ,(2001).
H. Arabshahi, World Applied Programming, Vol (1), No (3), 138-142. (2011).
H. Arabshahi, International Journal of Science and Advance Technology, 1(3) : 6-8, (2011).
D. Pena Lara, G. A. PerezAlcazar, Ligia E. Zamora, andJ. A. Plascak, Phys. Rev. B 80, 014427 (2009).
[24] J. Restrepo and G. A.
PerezAlcazar, Phys. Rev. B 61,5880 (2000).
A. Osorio, W. R. Aguirre Contreras, Ligia E. Zamora,and G. A. PerezAlcazar, Phys. Rev. B 68, 024420 (2003).
E. A. Velasquez, J. Mazo-Zuluaga, J. Restrepo, Oscar Iglesias, arXiv:1011.3388, (2010).
R.H. Kodama, J. Magn. Magn.Mater.200, 359 ,(1999).
J. A. Christodoulides, M. J. Bonder, Y. Huang, Y. Zhang, S. Stoyanov, and G. C. Hadjipanayis A.Simopoulos D. Weller, PHYSICAL
REVIEW B 68, 054428 ,(2003).
S. Akiyama, Y. Tsunoda, Journal of Magnetism and Magnetic Materials 310 ,18441846, (2007).
H. Arabshahi, Journal of Engineering and Technology Research Vol. 3(7), pp. 209-216, July, (2011).
H. Arabshahi, Modern Physics Letters B, Vol. 20, No. 22, pp. 1397-1404, (2006).

Hadi Arabshahi received the B. S degree in physics from the Ferdowsi University of Mashhad, Iran in
1992 and the Ph. D. degree in computational physics from Durham University, United Kingdom, in 2002.
He has published over 155 peer-reviewed journal papers and contributed to more than 85 conference
papers and presentations. His research activities include semiconductor device simulations, high field
transport properties in bulk and devices, transient relaxation in materials and devices, simulation of
optoelectronic devices, electronics properties of low-dimensional and curved nanostructures and quantum
information.

414