04149nam 22006615 450 99641843630331620200706054959.03-030-37238-310.1007/978-3-030-37238-5(CKB)4940000000158793(DE-He213)978-3-030-37238-5(MiAaPQ)EBC6005492(PPN)242842879(EXLCZ)99494000000015879320200103d2020 u| 0engurnn|008mamaatxtrdacontentcrdamediacrrdacarrierAb initio Theory of Magnetic Ordering[electronic resource] Electronic Origin of Pair- and Multi-Spin Interactions /by Eduardo Mendive Tapia1st ed. 2020.Cham :Springer International Publishing :Imprint: Springer,2020.1 online resource (XVIII, 131 p. 35 illus., 34 illus. in color.) Springer Theses, Recognizing Outstanding Ph.D. Research,2190-50533-030-37237-5 Introduction -- Ab-initio Theory of Electronic Structure -- Disordered Local Moment Theory and Fast Electronic Responses -- Minimisation of the Gibbs Free Energy: Magnetic Phase Diagrams and Caloric Effects -- Pair- and Four- Spin Interactions in the Heavy Rare Earth Elements -- Frustrated Magnetism in Mn-based Antiperovskite Mn3GaN -- Summary and Outlook -- Appendix.Many technological applications exploit a variety of magnetic structures, or magnetic phases, to produce and optimise solid-state functionality. However, most research advances are restricted to a reduced number of phases owing to computational and resource constraints. This thesis presents an ab-initio theory to efficiently describe complex magnetic phases and their temperature-dependent properties. The central assumption is that magnetic phases evolve slowly compared with the underlying electronic structure from which they emerge. By describing how the electronic structure adapts to the type and extent of magnetic order, a theory able to describe multi-spin correlations and their effect on the magnetism at finite temperature is obtained. It is shown that multi-spin correlations are behind the temperature and magnetic field dependence of the diverse magnetism in the heavy rare earth elements. Magnetically frustrated Mn-based materials and the effect of strain are also investigated. These studies demonstrate that the performance of solid-state refrigeration can be enhanced by multi-spin effects.Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053MagnetismMagnetic materialsMathematical physicsPhase transitions (Statistical physics)Quantum computersSpintronicsMagnetism, Magnetic Materialshttps://scigraph.springernature.com/ontologies/product-market-codes/P25129Theoretical, Mathematical and Computational Physicshttps://scigraph.springernature.com/ontologies/product-market-codes/P19005Phase Transitions and Multiphase Systemshttps://scigraph.springernature.com/ontologies/product-market-codes/P25099Quantum Information Technology, Spintronicshttps://scigraph.springernature.com/ontologies/product-market-codes/P31070Magnetism.Magnetic materials.Mathematical physics.Phase transitions (Statistical physics).Quantum computers.Spintronics.Magnetism, Magnetic Materials.Theoretical, Mathematical and Computational Physics.Phase Transitions and Multiphase Systems.Quantum Information Technology, Spintronics.621.34Mendive Tapia Eduardoauthttp://id.loc.gov/vocabulary/relators/aut841696MiAaPQMiAaPQMiAaPQBOOK996418436303316Ab initio Theory of Magnetic Ordering2022319UNISA