Download or read book First principle Studies of Half metallic Antiferromagnets in Double Perovskites Structure Compounds written by 陳少華 and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First principle Studies of Half metallic Materials in Sr and IV Group Element Based on Double Perovskites Structure Compounds written by 劉雲平 and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First Principles Study of Electronic and Magnetic Structures in Double Perovskites written by Molly Ball and published by . This book was released on 2017 with total page 159 pages. Available in PDF, EPUB and Kindle. Book excerpt: At present, electronic devices are reaching their storage and processing limit causing a major push to find materials that can be used in the next generation of devices. Double perovskites with A2BB'O6 stoichiometry form one of the leading classes of materials currently being studied as a potential candidate because of their extremely wide range and tunability of functional properties, along with economic and highly scalable synthesis routes. Having a thorough understanding of their electronic and magnetic structure and their dependence on composition and local structure is the basis for targeted development of novel and optimized double perovskites. While the body of knowledge and rules within the field of materials chemistry has enabled many previous discoveries, recent developments within density functional theory (DFT) allow by now a rather realistic description of the electronic and magnetic properties of materials and especially identification of their origin from geometry and orbital structure. This thesis details computational work based on DFT within several collaborative studies to better understand the electronic and magnetic properties of double perovskites and related materials that show promise for future use in multifunctional devices. First, we will begin with a general introduction to the double perovskite structure, their properties, and the computational methods used to study them. In the next section, we will look at the case of the antiferromagnetic, insulating double perovskite Sr2CoOsO6, where measurements showed that the transition metal ions in the two sublattices undergo magnetic ordering independently of each other, indicating weak magnetic short-range coupling and a dominance of longer-range interactions, which has previously not been observed. Here, we performed DFT calculations to extract the exchange strengths between the ions and explain this unique dominance of the long-range interactions. Then, we will look at studies done on thin films of Sr2CrReO6, where our experimental collaborators found extraordinarily large anisotropy fields and record-breaking strain-tunable magnetocrystalline anisotropy (MCA). We employed first principles calculations that examine the dependence of MCA on strain and could identify orbital magnetism on the Re atoms as the origin of this unique phenomenon. In the last section, we introduce double perovskites as novel lead-free halide solar cell materials, with current focus on Cs2AgBiBr6 and Cs2AgBiCl6. While organic Pb based halides that can be synthesized without expensive clean rooms have achieved within record time efficiencies that rival that of traditional semiconductor based materials, creating quite a buzz within the field of photovoltaics, their Pb content and lacking air stability represented severe roadblocks towards market introduction. Here, we show with band structure calculations that spin-orbit coupling is a much more dominant interaction than in traditional semiconductors and thus needs to be considered when designing novel materials for maximum efficiency. The results of this study have given momentum to investigate additional halides double perovskites. Finally, we will summarize and discuss the importance of computational modeling in order to explore the wide and to date little explored composition space of double perovskites, one of the currently most promising materials classes for novel devices with unique and extremely tunable properties.
Download or read book First Principles Studies of New Type Magnetic Semiconductor in Double Perovskites Structure and 2 dimension Honeycomb Structure Compounds written by and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Journal of the Physical Society of Japan written by and published by . This book was released on 2014 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book First principles Study of Electromechanical and Polar Properties in Perovskite Oxides and Half Heusler Semiconductors written by Anindya Roy and published by . This book was released on 2011 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis discusses electromechanical and polar properties in two well-known classes of materials, perovskite oxides and half-Heusler compounds, using first-principles calculations. Certain features of the ab initio codes, such as the capability to calculate polarization based on the modern theory of polarization, or to apply a finite electric field, are central to the problems presented in this thesis. Hence these formalisms are discussed, following a brief opening section on the basic methodology of density-functional theory. The first problem presented in this thesis concerns the nonlinear piezoelectric response of ferroelectric PbTiO3 for the case of a polarization-enhancing electric field applied along the tetragonal axis. The dependence of the c/a ratio on electric field is found to be almost linear in the range up to 500 MV/m, contrary to what expected from Landau-Devonshire theory, but in qualitative agreement with a recent experiment. In the second problem we study the energy landscape and ferroelectric states of double perovskites of the form AA'BB'O6 in which the atoms on both the A and B sites are arranged in rock-salt order. If a ferroelectric instability occurs, the energy landscape will tend to have minima with the polarization along tetrahedral directions, leading to a rhombohedral phase, or along Cartesian directions, leading to an orthorhombic phase. We are not aware of compounds naturally occurring in this structure, although they might be synthesized experimentally. In the final problem, we use a first-principles rational-design approach to search a large materials family, half-Heusler compounds to identify semiconductors, and then compute their piezoelectric properties. This previously-unrecognized class of piezoelectrics may benefit greatly from calculations such as those presented here. Our work may provide guidance for experimental verification of existing compounds and for the experimental realization of other potential candidates.
Download or read book Electron Correlation in New Materials and Nanosystems written by Kurt Scharnberg and published by Springer Science & Business Media. This book was released on 2007-05-24 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: The articles collected in this book cover a wide range of materials with extraordinary superconducting and magnetic properties. For many of the materials studied, strong electronic correlations provide a link between these two phenomena which were long thought to be highly antagonistic. The book reports both the progress in our understanding of fundamental physical processes and the advances made towards the development of devices.
Download or read book First Principles Study of Double Perovskites and Group III V Compounds written by Rohan Mishra and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: We have then used our understanding of the magnetic interactions that result due to antisites disorder in Sr2FeMoO6 to predict Ca2MnRuO6 as a material which should allow high levels of spin-polarized conduction, even in a complete disordered form.
Download or read book Fundamentals of Magnetism written by Mathias Getzlaff and published by Springer Science & Business Media. This book was released on 2007-09-20 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first part of this state-of-the-art book conveys the fundamentals of magnetism for atoms and bulk-like solid-state systems, providing a basis for understanding new phenomena which exclusively occur in low-dimensional systems as the giant magneto resistance. This wide field is discussed in the second part. Suitable for graduate students in physical and materials sciences, the book includes numerous examples, exercises, and references.
Download or read book Hybrid Organic Inorganic Perovskites written by Li Wei and published by John Wiley & Sons. This book was released on 2020-10-19 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hybrid organic-inorganic perovskites (HOIPs) have attracted substantial interest due to their chemical variability, structural diversity and favorable physical properties the past decade. This materials class encompasses other important families such as formates, azides, dicyanamides, cyanides and dicyanometallates. The book summarizes the chemical variability and structural diversity of all known hybrid organic-inorganic perovskites subclasses including halides, azides, formates, dicyanamides, cyanides and dicyanometallates. It also presents a comprehensive account of their intriguing physical properties, including photovoltaic, optoelectronic, dielectric, magnetic, ferroelectric, ferroelastic and multiferroic properties. Moreover, the current challenges and future opportunities in this exciting field are also been discussed. This timely book shows the readers a complete landscape of hybrid organic-inorganic pervoskites and associated multifuctionalities.
Download or read book Spin Current written by Sadamichi Maekawa and published by Oxford University Press. This book was released on 2017 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a new branch of physics and technology, called spin-electronics or spintronics, the flow of electrical charge (usual current) as well as the flow of electron spin, the so-called "spin current", are manipulated and controlled together. This book is intended to provide an introduction and guide to the new physics and applications of spin current.
Download or read book Perovskite Materials Devices and Integration written by He Tian and published by BoD – Books on Demand. This book was released on 2020-06-10 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Perovskites have attracted great attention in the fields of energy storage, pollutant degradation as well as optoelectronic devices due to their excellent properties. This kind of material can be divided into two categories; inorganic perovskite represented by perovskite oxide and organic-inorganic hybrid perovskite, which have described the recent advancement separately in terms of catalysis and photoelectron applications. This book systematically illustrates the crystal structures, physic-chemical properties, fabrication process, and perovskite-related devices. In a word, perovskite has broad application prospects. However, the current challenges cannot be ignored, such as toxicity and stability.
Download or read book Heusler Alloys written by Claudia Felser and published by Springer. This book was released on 2015-11-12 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an overview of the physics of Heusler compounds ranging from fundamental properties of these alloys to their applications. Especially Heusler compounds as half-metallic ferromagnetic and topological insulators are important in condensed matter science due to their potential in magnetism and as materials for energy conversion. The book is written by world-leaders in this field. It offers an ideal reference to researchers at any level.
Download or read book Functional Metal Oxides written by Satishchandra Balkrishna Ogale and published by John Wiley & Sons. This book was released on 2013-11-08 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Functional oxides are used both as insulators and metallic conductors in key applications across all industrial sectors. This makes them attractive candidates in modern technology ? they make solar cells cheaper, computers more efficient and medical instrumentation more sensitive. Based on recent research, experts in the field describe novel materials, their properties and applications for energy systems, semiconductors, electronics, catalysts and thin films. This monograph is divided into 6 parts which allows the reader to find their topic of interest quickly and efficiently. * Magnetic Oxides * Dopants, Defects and Ferromagnetism in Metal Oxides * Ferroelectrics * Multiferroics * Interfaces and Magnetism * Devices and Applications This book is a valuable asset to materials scientists, solid state chemists, solid state physicists, as well as engineers in the electric and automotive industries.
Download or read book Introduction to Frustrated Magnetism written by Claudine Lacroix and published by Springer Science & Business Media. This book was released on 2011-01-12 with total page 682 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of highly frustrated magnetism has developed considerably and expanded over the last 15 years. Issuing from canonical geometric frustration of interactions, it now extends over other aspects with many degrees of freedom such as magneto-elastic couplings, orbital degrees of freedom, dilution effects, and electron doping. Its is thus shown here that the concept of frustration impacts on many other fields in physics than magnetism. This book represents a state-of-the-art review aimed at a broad audience with tutorial chapters and more topical ones, encompassing solid-state chemistry, experimental and theoretical physics.
Download or read book Advances in Nanoscale Magnetism written by Bekir Aktas and published by Springer Science & Business Media. This book was released on 2008-09-08 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book aims to provide an overview of recent progress in the understanding of magnetic properties in nanoscale through recent results of various theoretical and experimental investigations. The papers describe a wide range of physical aspects.
Download or read book Properties of Materials written by Robert E. Newnham and published by Oxford University Press. This book was released on 2005 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystals are sometimes called 'Flowers of the Mineral Kingdom'. In addition to their great beauty, crystals and other textured materials are enormously useful in electronics, optics, acoustics and many other engineering applications. This richly illustrated text describes the underlying principles of crystal physics and chemistry, covering a wide range of topics and illustrating numerous applications in many fields of engineering using the most important materials today. Tensors, matrices, symmetry and structure-property relationships form the main subjects of the book. While tensors and matrices provide the mathematical framework for understanding anisotropy, on which the physical and chemical properties of crystals and textured materials often depend, atomistic arguments are also needed to quantify the property coefficients in various directions. The atomistic arguments are partly based on symmetry and partly on the basic physics and chemistry of materials. After introducing the point groups appropriate for single crystals, textured materials and ordered magnetic structures, the directional properties of many different materials are described: linear and nonlinear elasticity, piezoelectricity and electrostriction, magnetic phenomena, diffusion and other transport properties, and both primary and secondary ferroic behavior. With crystal optics (its roots in classical mineralogy) having become an important component of the information age, nonlinear optics is described along with the piexo-optics, magneto-optics, and analogous linear and nonlinear acoustic wave phenomena. Enantiomorphism, optical activity, and chemical anisotropy are discussed in the final chapters of the book.
