Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials
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Beschreibung
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.
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
Autor*in
Rachid Masrour
Themen in »Magnetoelectronic, Optical, and Thermoelectric Properties of Perovskite Materials«
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