Overview
- Features an extensive exploration of magnetic properties of perovskite materials using DFT and Monte Carlo simulations
- Gives a detailed comparison of DFT results obtained using GGA, GGA+U, and mBJ approximations
- Compares recent experimental observations with obtained simulation results
Part of the book series: SpringerBriefs in Materials (BRIEFSMATERIALS)
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About this book
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.
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Keywords
- Perovskite Oxide Compounds
- A-site Coordination in Perovskites
- B-site Transition Metal Ions
- Perovskite Solar Cells
- Defect-Rich Grain Boundaries
- Chemical Stability of CsPbI3
- A-site Ordering Challenges
- Born-Oppenheimer Approximation
- Hartree-Fock Approximation
- Generalized Gradient Approximation
- Magnetocaloric Effect Analysis
- Ba-Sr Ferrites Crystal Structure
- Magnetocaloric Properties Assessment
- Sr2FeMoO6 Double Perovskites
- Bilayer Manganite La2SrMn2O7
- Thin Film Magnetocaloric Properties
Table of contents (8 chapters)
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Front Matter
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Back Matter
Authors and Affiliations
About the author
Professor Rachid Masrour, from Morocco, is a research professor in the Faculty of Sciences at Dhar El Mahraz, Sidi Mohamed Ben Abdellah University, Fez, Morocco. Dr. Rachid Masrour completed his Ph.D. in March 2006 at the same university. His research interests lie in the area of Condensed Matter Physics, Material Sciences, Materials for energy, and Magnetism. He has 340 articles published in the Web of Science and 10 book chapters published in international journals. He is the editor of 4 books and the author of 2 books with an h-index of 34. He participated in more than 100 Moroccan and international congresses. He's a referee for several articles and also an Editorial Board Member in different international journals. He has collaborated extensively with laboratories from abroad. He was honored with the International Association of Advanced Materials Young Scientist Medal in recognition of his contribution to “Magnetism, Electromagnetism, and Spintronics” and delivered a lecture at the Advanced Materials World Congress on October 11 – 14, 2022. He is one of the world's most cited top scientists in material physics (top 2%, Stanford University Ranking, US, 2020). He received the Best Oral Presentation Award for MCGPD-2021, by the Indian Association for Crystal Growth & Indian Science and Technology Association International Organization for Crystal Growth, July 5-8, 2021. He received the Outstanding Scientist Award (VDGOOD PROFESSIONAL ASSOCIATION, February 15, 2020, India). It was among the most critical in 2020 by Elsevier.
Bibliographic Information
Book Title: Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials
Authors: Rachid Masrour
Series Title: SpringerBriefs in Materials
DOI: https://doi.org/10.1007/978-3-031-48967-9
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerland AG 2024
Softcover ISBN: 978-3-031-48966-2Published: 06 December 2023
eBook ISBN: 978-3-031-48967-9Published: 05 December 2023
Series ISSN: 2192-1091
Series E-ISSN: 2192-1105
Edition Number: 1
Number of Pages: XIII, 120
Number of Illustrations: 7 b/w illustrations, 77 illustrations in colour
Topics: Energy Materials, Materials Science, general, Theoretical and Computational Chemistry, Theoretical, Mathematical and Computational Physics, Theoretical, Mathematical and Computational Physics