Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials (SpringerBriefs in Materials)

✍ Scribed by Rachid Masrour

• Publisher: Springer
• Year: 2023
• Tongue: English
• Leaves: 128
• Category: Library

✦ Synopsis

This book undertakes an extensive exploration of manganese-based compounds, such as T₁₋ₓSrxMnO₃ (T = La, Pr; x = 0.35, 0.25) using density functional theory and Monte Carlo simulations with a focus on understanding their electronic, magnetic, and magnetocaloric properties. Ba₁₋ₓSrxFeO₃ (x = 0, 0.2) is also studied via different approximations, offering a comparative perspective. In addition, the book looks at the influence of magnetism using Monte Carlo simulations, revealing crucial parameters and examining the GdCrO₃ system through DFT and Monte Carlo simulation, shedding light on recent experimental observations. Additionally, Monte Carlo studies investigate magnetic and magnetocaloric features of Sr₂FeMoO₆, La₂SrMn₂O₇ bilayer manganite, perovskite ferromagnetic thin films' surface effects, and SmFe₁₋ₓMnxO₃ perovskite. In essence, this book significantly advances our comprehension of magnetic and magnetocaloric phenomena across diverse materials and is well-suited for both experimentalists and computational researchers working in this field.

✦ Table of Contents

General Introduction
References
Contents
About the Author
1 Calculation Methods: Monte Carlo Simulations and Ab Initio Calculations
1.1 Introduction
1.2 Monte Carlo Method and Ising Model
1.3 Ab-Initio Calculations
1.4 Several Approximations
1.4.1 Born–Oppenheimer Approximation
1.4.2 Hartree Approximation
1.4.3 Hartree–Fock Approximation
1.5 Density Functional Theory
1.5.1 Theorems of Hohenberg and Kohn
1.5.2 Formulation of Kohn–Sham
1.5.3 Locale Density of Approximation
1.5.4 Generalized Gradient Approximation
1.6 Conclusion
References
2 Magnetocaloric Effect, Electronic and Magnetic Properties in Manganite Perovskites
2.1 Introduction
2.2 Calculation Details: Density-Functional Theory and Monte Carlo Simulations
2.3 Crystal Structure of Manganite Perovskite
2.4 Electronic Properties of Manganite Perovskite
2.5 Magnetic and Magnetocaloric Properties of Manganite Perovskite
2.6 Conclusions
References
3 Study of Magnetocaloric Effect, Electronic and Magnetic Properties of Perovskite Ferrites
3.1 Introduction
3.2 Density-Functional Theory and Monte Carlo Simulations
3.3 Crystal Structure of Ferrite Perovskite
3.4 Electronic Properties of Ferrite Perovskite
3.5 Magnetic and Magnetocaloric Properties of Ferrite Perovskites
3.6 Conclusions
References
4 Magnetic and Magnetocaloric, Electronic, Magneto-Optical, and Thermoelectric Properties of Perovskite Chromites
4.1 Introduction
4.2 Calculation Methods
4.2.1 Density Functional Theory
4.2.2 Monte Carlo Study
4.3 Crystal Structure of Perovskite Chromites
4.4 Electronic Properties of Perovskite Chromites
4.5 Dielectric and Optical Properties of Perovskite Chromites
4.6 Thermoelectric Properties of Perovskite Chromites
4.7 Magnetic and Magnetocaloric Effect of Perovskite Chromites
4.8 Conclusions
References
5 Magnetic Properties and Magnetocaloric in Double Perovskite Oxides
5.1 Introduction
5.2 Ising Model and Monte Carlo Simulations
5.3 Results and Discussion of Magnetic Properties and Magnetocaloric in Double Perovskite Oxides
5.4 Conclusions
References
6 Magnetocaloric and Magnetic Properties of Bilayer Manganite
6.1 Introduction
6.2 Ising Model and Monte Carlo Simulations
6.3 Magnetic and Magnetocaloric Properties of Bilayer Manganite System
6.4 Conclusions
References
7 Magnetocaloric Properties of Surface Effects in Perovskites Ferromagnetic Thin Films
7.1 Introduction
7.2 Ising Model and Monte Carlo Simulations
7.3 Results and Discussion: Surface Effects in Perovskites Ferromagnetic Thin Films
7.4 Conclusions
References
8 Effect of Magnetic Field on the Magnetocaloric and Magnetic Properties of Perovskite Orthoferrites
8.1 Introduction
8.2 Ising Model and Monte Carlo Study
8.3 Results and Discussion: Magnetocaloric Effect and Magnetic Properties of Perovskite Orthoferrites
8.4 Conclusions
References
General Conclusion