Spin-strain coupling in a 3-D transition metal oxides

ab-initio Hartree Fock (HF), density functional theory (DFT) and hybrid potentials were employed to compute the optimized lattice parameters and elastic properties of perovskite 3-d transition metal oxides. The optimized lattice parameters and elastic properties are interdependent in these materials. An interaction is observed between the electronic charge, spin and lattice degrees of freedom in 3-d transition metal oxides. The coupling between the electronic charge, spin and lattice structures originates due to localization of d-atomic orbitals. The coupling between the electronic charge, spin and crystalline lattice also contributes in the ferroelectric and ferromagnetic properties in perovskites. The cubic and tetragonal crystalline structures of perovskite transition metal oxides of ABO3 are studied. The electronic structure and the physics of 3-d perovskite materials is complex and less well considered. Moreover, the novelty of the electronic structure and properties of these perovskites transition metal oxides exceeds the challenge offered by their complex crystalline structures. To achieve the objective of understanding the structure and property relationship of these materials the first-principle computational method is employed. CRYSTAL09 code is employed for computing crystalline structure, elastic, ferromagnetic and other electronic properties. Second-order elastic constants (SOEC) and bulk moduli (B) are computed in an automated process by employing ELASTCON (elastic constants) and EOS (equation of state) programs in CRYSTAL09 code. ELASTCON, EOS and other computational algorithms are utilized to determine the elastic properties of tetragonal BaTiO3, rutile TiO2, cubic and tetragonal BaFeO3 and the ferromagentic properties of 3-d transition metal oxides. Multiple methods are employed to crosscheck the consistency of our computational results. Computational results have motivated us to explore the ferromagnetic properties of 3-d transition metal oxides. Billyscript and CRYSTAL09 code are employed to compute the optimized geometry of the cubic and tetragonal crystalline structure of transition metal oxides of Sc to Cu. Cubic crystalline structure is initially chosen to determine the effect of lattice strains on ferromagnetism due to the spin angular momentum of an electron. The 3-d transition metals and their oxides are challenging as the basis functions and potentials are not fully developed to address the complex physics of the transition metals. Moreover, perovskite crystalline structures are extremely challenging with respect to the quality of computations as the latter requires the well established methods. Ferroelectric and ferromagnetic properties of bulk, surfaces and interfaces are explored by employing CRYSTAL09 code. In our computations done on cubic TMOs of Sc-Fe it is observed that there is a coupling between the crystalline structure and FM/AFM spin polarization. Strained crystalline structures of 3-d transition metal oxides are subjected to changes in the electromagnetic and electronic properties. The electronic structure and properties of bulk, composites, surfaces of 3-d transition metal oxides are computed successfully.

ANIMATED TRANSITION IN SIMILARITY-BASED TILED IMAGE LAYOUT

Effective techniques for organizing and visualizing large image collections are in growing demand as visual search gets increasingly popular. iMap is a treemap representation for visualizing and navigating image search and clustering results based on the evaluation of image similarity using both visual and textual information. iMap not only makes effective use of available display area to arrange images but also maintains stable update when images are inserted or removed during the query. A key challenge of using iMap lies in the difficult to follow and track the changes when updating the image arrangement as the query image changes. For many information visualization applications, showing the transition when interacting with the data is critically important as it can help users better perceive the changes and understand the underlying data. This work investigates the effectiveness of animated transition in a tiled image layout where the spiral arrangement of the images is based on their similarity. Three aspects of animated transition are considered, including animation steps, animation actions, and flying paths. Exploring and weighting the advantages and disadvantages of different methods for each aspect and in conjunction with the characteristics of the spiral image layout, we present an integrated solution, called AniMap, for animating the transition from an old layout to a new layout when a different image is selected as the query image. To smooth the animation and reduce the overlap among images during the transition, we explore different factors that might have an impact on the animation and propose our solution accordingly. We show the effectiveness of our animated transition solution by demonstrating experimental results and conducting a comparative user study.