Republic of Iraq

Ministry of Higher Education & Scientific

Ressearch
AL-Muthanna University
College of Science
Department of Phyysics

Calculation of the free energy functions for some

interpenetrated magnetic systems

BY:

Ali Ismael Abad

Hussein Raad Abd Al-Kareeam

Supervisor

Prof. Dr. Hadey Kasim Mohamad

2024
 ‫بسم اهلل الرحمن الرحيم‬
‫۝يرفع اهلل ٱلذيَن َءامنوا منكم‬
‫َو ٱلذيَن أوتوا العلم درجت واهلل بَما‬
‫َتعَملوَن َخبير” ۝‬

‫صدق اهلل العظيم‬

‫سورة المجادلة‪ ،‬اآلية)‪(11‬‬
ABSTRACT

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 ELBAT TNETNOC
FO

Contents Page
Abstract I

Table of Contents II

List of Figures III

CHAPTER ONE: INTRODUCTION

1.1 Introduction 1

1.2 Classification Of Magnetic Materials 2

1.2.1 Diamagnet 2

1.2.2 Paramagnetism 2

1.2.3 ferromagnet 3

1.2.4 Antiferromagnetism 3

1.2.5 Ferrimagnetism 4

CHAPTER TOW: METHODOLOGY

2.1 Introduction 5

2.2 Ising Model 5

2.3 Model and Formalism 6

2.4 Gibbs Free Energy 10

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 CHAPTER THERE: RESULT

2.1 Introduction 11

2.2 Ising Model 11

2.3 Model and Formalism 12

2.4 Gibbs Free Energy 14

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iv
CHAPTER ONE
INTRODUCTION
Introduction: 1.1

The first question one might ask is why we are interested in magnets. While the
phenomenon of magnetism was known to the ancients, From as early as several thousand
years BC (written records date back to 600 BC), it is likely that both the Chinese and the
Greeks were aware of the magnetic characteristics of Fe3O4, or magnetite (also known as
loadstone when magnetized)[1]. Is lodestone or magnetite, which has, basically, the
chemical constitution Fe3O4 or FeO.Fe2O3, i. e.. ferroferrite. It was known to the ancients
.that this mysterious substance had attracted other bodies of same nature [2]

The fundamental concept of magnetism is that a moving charge, specifically electricity,

generates a magnetic field. As a result, it has been shown that a coil that carries current
exhibits bar magnet-like behavior and generates a magnetic moment (m), which is
.determined to be equal to the sum of the loop's area (A) and current (I) [3]

m=I . A 1.1

Magnetic solids are used widely in electric power transformers and dynamos, high-fidelity
speakers, microwave communication systems, information storage devices, and other key
technical applications. Information storage medium is by far the largest application for
magnetic materials, and the annual sales of computer diskettes, compact disks, optical disks,
recording tape, and associated products surpass those of the renowned semiconductor
industry. Expanding the search for completely new classes of magnetic materials is essential
due to the need for better bit-density information storage media and the introduction of
.new technologies such magneto-optic devices [4]

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1.2 Classification Of Magnetic Materials:

It is possible to classify materials into five classes, depending on the extent and nature of
the interaction between electrons in the solid and an external magnetic field, Three of
classes show almost no response to external magnetic fields, (paramagnetic, diamagnetic,
and antiferromagnetic), on the other hand, ferromagnetic and ferrimagnetic materials
interact strongly with external magnetic fields[5]. Magnetic susceptibility is the property
that characterizes a material's reaction to an external magnetic field quantitatively. When
| χ|≪ 1, the material exhibits a strong magnetic response, and when | χ|≫ 1, the material
exhibits a weak response to the external field.

1. Diamagnet: like copper, silver, gold, bismuth and beryllium, is a material where
| χ|≪ 1 ,their magnetic response opposes to the applied magnetic field.

Figure 1.1: In the presence of a field, dipoles induced and are aligned opposite to the field
direction [5].

Paramagnetism: like aluminum, platinum and manganese, is a material where| χ|≫ 0, .2

The magnetization of paramagnets is weak but aligned parallel (is in the same direction as
.the applied field) with the direction of the magnetic field

Figure 1.2: Atomic dipoles for a paramagnetic material, with no applied magnetic field and
.with magnetic field [5]

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ferromagnet: The most widely familiar magnetic materials, like iron, cobalt and nicke, .3
which the susceptibility is positive, much greater than 1, and typically can have values
.| χ|≈ 50, to 10000

Figure 1.3: Ferromagnetic ordering in the absence of external field [5].

4. Antiferromagnetism: Antiferromagnetism is a mysterious magnetic order, in which a

crystal lattice is subdivided into two or more atomic sublattices, which order in such a way
that their net magnetization is equal to zero [6]. Antiferromagnetic behavior is shown by a
few materials, including manganese oxide (MnO) (Figure 1.4). Because of the complete
cancellation of the orbital and spin moments, O-2 ions have no magnetic moment. The spin
moment, however, is primarily the source of the magnetic moment of the Mn +2 ions. In
order to create antiparallel neighboring ions, these Mn+2 ions are positioned in the crystal
structure [5].

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 Figure 1.4: Schematic representation of antiparallel alignment of magnetic moments for
antiferromagnetic manganese oxide [5].

5. Ferrimagnetism: Comparable to ferromagnetic materials, ferrimagnetic materials has

similar properties. These materials have a low value of | χ| and a nearly zero net magnetic
moment. On the other hand, the adjacent magnetic dipoles of unequal strength point in
opposite directions. The result is a material that shows a
significant response to external magnetic fields [7].

:ordering of spins in ferrimagnetism materials Figure 1.5

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CHAPTER TOW
METHODOLOGY
2.1 Introduction:

The Ising model and its various variants are of the most extensively studied many-body
problem. The reason is due to the fact that they can describe fairly well numerous physical
systems, such as magnetic spin systems, binary alloys, lattice gas, and so on [8]. The model
was developed for the ferromagnet phase transition at the Curie temperature, which is
noteworthy, however, it became apparent that the model could also be used to describe
other phase transitions, such as order-disorder transitions in binary alloys, with only minor
modifications. In addition, a number of contemporary many-particle physics issues can be
.solved using this model

Ising Model

Ising model is the simplest model that deals with the interaction among spins and it can
show a phase transition such as the transition from ferromagnetism to paramagnetism.
With Ising model, the system is considered as an array of N fixed points called lattice sites
that form an n-dimensional periodic lattice (n=1,2,3). The geometric structure of the lattice
may be square, cubic or hexagonal. A spin variable S i (i=1, ….,N), which is a number that is
either +1 or -1, is Associated with each lattice site. If Si=+1 , the ith site is said to have spin
up, and if Si=−1 , it is said to have spin down. A set of numbers {S i} specifies a configuration
of the whole system and the energy of the configuration is defined to be [9]

2.1

Where <ij> denotes a nearest-neighbor pair of spins. h is the external magnetic field. The
first term indicates the cooperative behavior and the possibility of a phase transition. J is the
exchange energy where J>0 favors parallel and J<0 favors antiparallel alignment of spins for
ferro-and antiferromagnetic behavior, respectively. For J=0 Eq.3.1 stands for the
Hamiltonian of a paramagnet [10].

In 1925, Ising introduced simplest form of the Ising model that appears in one-dimensional
lattice consisting of spin-1/2 atoms, with nearest-neighbor interaction in the absence of
external field. However, he did not obtain a long-range order at any finite temperature. Yet,

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one may say that the Ising chain undergoes a phase transition at zero temperature
[11,9,12].

The two dimensional Ising models in the absence of an external field has been solved exactly
by Onsager in 1944 when he obtained a phase transition at a finite temperature [13]. After
onsager’s solution, the Ising model has been one of the most actively studied problems in
statistical mechanics.

:Model and Formalism_2.3

In this work, we have considered the ferrimagnetic lattice of Perovskite structured The
structure is cubic perovskite-type, crystallized with the face-centered cubic structure (Pm̅ 3m
space group), The unit cell contains three atoms, one Chromium atom (Cr ) at the body
center positions (0.5, 0.5, 0.5), and Gadolinium at the corners (cube corner position (0, 0,
0)), the other is Oxygen atoms at the face entered (cube face (0.5, 0.5, 0), (0.5, 0, 0.5), and
(0, 0.5, 0.5) positions) (Fig. 1.2). We study the magnetic properties for this ferromagnetic
order with a mixed spin-7/2 and spin-3/2 using Ising model to study the magnetization and
.Free energy for this system

.Figire(1.2): The Perovskite structur of GdCrO₃ compound

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GdCrO₃ is (Cubic) Perovskite structured and crystallizes in the cubic Pm̅ 3m space group. Gd³⁺
is bonded to twelve equivalent O²⁻ atoms to form GdO₁₂ cuboctahedra that share corners
with twelve equivalent GdO₁₂ cuboctahedra, faces with six equivalent GdO₁₂ cuboctahedra,
and faces with eight equivalent CrO₆ octahedra. All Gd-O bond lengths are 2.74 Å. Cr³⁺ is
bonded to six equivalent O²⁻ atoms to form CrO₆ octahedra that share corners with six
equivalent CrO₆ octahedra and faces with eight equivalent GdO₁₂ cuboctahedra. The corner-
sharing octahedra are not tilted. All Cr-O bond lengths are 1.94 Å. O²⁻ is bonded in a
.][ distorted linear geometry to four equivalent Gd³⁺ and two equivalent Cr³⁺ atoms

To solve the system we consider two-dimensional Ising model with spins, Si = ±7/2, ± 5/2, ±
3/2, and ± 1/2 and Sj = ±3/2 and ± 1/2, located in alternating sites of a square lattice, with
,periodic boundary conditions

Figire(2.2): A section of the two-dimensional lattice systems. Gd with spin SB=7/2, and Cr
with spin SA=3/2.

The Hamiltonian of a ferrimagnetic mixed spin and spin square lattice Ising system
:in a zero magnetic field, can be written as

)2.2(.………

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Where [ ] takes the values [ ] respectively, is a coupling constant between

nearest neighbor, is a magnetic anisotropy acting on A atoms, and a acting on B

.atoms

:We can write the Hamiltonian for A and B atoms as following

.Using the Maxwell-Boltzmann distribution

According to Maxwell-Boltzmann statistical the total magnetization of the system is

:obtained

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:Gibbs Free Energy 2.4

:The study's free energy will be estimated in the manner described below

G( H )≤Go ( H o )+⟨H −H o ⟩ o ≡φ

H o =−∑ ( λ A SiA+ D A ( SiA )2 )−∑ [ λ B S Bj +D B (S Bj )2 ]

i j

−BH o
Z o =∑ e
i, j …………………………………………………………(2-11)

G o =−NK B T ln Z o ……………………………………………………...(2-12)

(2-13)

3 −2 βD A 1
3 sinh( βλ A )+e sinh( βλ A )
1 2 2
m A=
2 3 −2 βD 1
cosh( βλ A )+ e A
cosh( βλ A )
2 2 ……(2-14)

(2-15)

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λ A =zJm B , λ B =zJm A ……………...(2-16)

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CHAPTER THRER
RESULT