physica status solidi (b) · 2019 · 45 citations · 218 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMagnetic MaterialsMaterials PhysicsDefects In Electronic MaterialsMagnetic CharacterizationMagnetic OxidesMagnetic Properties Of SolidsMagnetism In SolidsX-ray CrystallographyCircular DichroismCrystal Defects In OxidesDensity Functional Theory Of Magnetic MaterialsIon Beam IrradiationIon Irradiation DamageMagnetic Circular DichroismOxide MagnetismPerpendicular Magnetic Anisotropy
The magnetic moment and the magnetic order induced by localized defects, like vacancies, interstitials, and/or nonmagnetic (NM) ions, in a NM oxide atomic lattice are discussed. When the defect concentration is of the order of or larger than ≈3 at%, magnetic order at room temperature can appear. Herein, the theoretical basic principles needed to understand and compute this new magnetic phenomenon in solids are developed in detail. In particular, the main results of density functional theory (DFT) calculations are used to estimate the magnetization and X‐ray magnetic circular dichroism (XMCD) values. The main experimental evidences on this phenomenon are reviewed, especially magnetization, the element‐specific XMCD, and transport properties in two selected oxides, ZnO and TiO 2 . Emphasis is given on the simplicity and efficiency ion irradiation methods have to trigger magnetic order in these oxides as well as a very sensitive method to characterize magnetic impurities. Two possible applications of this phenomenon are discussed, namely spin filtering at magnetic/NM interfaces in ZnO and perpendicular magnetic anisotropy triggered in TiO 2 anatase microstructures. The existing literature on defect‐induced magnetism in oxides is shortly reviewed, which provides further evidence on the robustness of this phenomenon in solids.
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Natural Sciences, Chemistry, Physics +17