No description available.

Recent experiments have shown that junctions consisting of individual single-molecule magnets (SMMs) bridged between two electrodes can be fabricated in three-terminal devices, and that the characteristic magnetic anisotropy of the SMMs can be affected by electrons tunneling through the molecule. Vibrational modes of the SMM can couple to electronic charge and spin degrees of freedom, and this coupling also influences the magnetic and transport properties of the SMM. The effect of electron-vibron coupling on transport has been extensively studied in small molecules, but not yet for junctions of SMMs. The goals of this thesis will be two-fold: to present a novel approach for studying the effects of this electron-vibron coupling on transport through SMMs that utilizes both density functional theory calculations and model Hamiltonian construction and analysis, and to present a software framework based on this hybrid approach for the simulation of transport across user-defined SMMs. The results of these simulations will indicate a characteristic suppression of the current at low energies that is strongly dependent on the overall electron-vibron coupling strength and number of molecular vibrational modes considered. / Master of Science

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Di-n-propyl dicyanofumarate (DnPrDCF) and di-isopropyl dicyanofumarate (DiPrDCF) have been used as one-electron acceptors in the synthesis of charge-transfer salt magnets with decamethylmetallocenes, MCp*2 (M = Mn, Cr). Salts of each acceptor with each metallocene have been characterized and the structures of the chromium analogues have been solved. The two acceptors are structurally similar to dimethyl dicyanofumarate (DMeDCF) and diethyl dicyanofumarate (DEtDCF), which have been previously studied and found to form charge-transfer salt magnets with the aforementioned decamethylmetallocenes. A typical structural motif is present in these types of charge-transfer salts which allows for the comparison of magnetic properties based on the length or size of the alkyl group of the dialkyl dicyanofumarate. Some trends were established based on the magnetic properties of the homologous series including ordering temperature/bulkiness of the alkyl group and intrastack distances/theta values. Correlation of magnetic and structural properties may give some insight into "through-space" magnetic coupling, of which little is understood. / Master of Science

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This thesis will present the synthesis, characterization and magnetic measurements of lanthanide complexes with varying nuclearities (Ln, Ln2, Ln3 and Ln4). EuIII, GdIII, TbIII, DyIII, HoIII and YbIII have been selected as the metal centers. Eight polydentate Schiff-base ligands have been synthesized with N- and mostly O-based coordination environments which chelate 7-, 8- or 9-coordinate lanthanide ions. The molecular structures were characterized by single crystal X-ray crystallography and the magnetic properties were measured using a SQUID magnetometer. Each chapter consists of crystal structures and magnetic measurements for complexes with the same nuclearity. There are eight DyIII SMMs in this thesis which are discrete molecules that act as magnets below a certain temperature called their blocking temperature. This phenomenon results from an appreciable spin ground state (S) as well as negative uni-axial anisotropy (D), both present in lanthanide ions owing to their f electron shell, generating an effective energy barrier for the reversal of the magnetization (Ueff). The ab initio calculations are also included for the SMMs with high anisotropic energy barriers to understand the mechanisms of slow magnetic relaxation in these systems.

The magnetic properties of the (FexNi1-x)2B family of materials are explored using DFT calculations utilizing the FPLO and SPR-KKR code packages. It is found that a uniaxial magnetocrystalline anisotropy exists at around x = 0.8 with a magnetocrystalline anisotropy energy at around 0.3 MJ/m^3. A calculation of the lattice constant for these materials were attempted but failed due to the emergence of local minima and the calculations of magnetic properties were instead done using lattice parameters interpolated between known experimental values.

In traditional Permanent Magnet Machines, such as electric motors and generators, power is transmitted by magnetic flux passing through an air gap, which has a very low magnetic permeability, limiting performance. However, reducing the air gap through traditional means carries risks in manufacturing, with tight tolerances and associated costs, and reliability, with thermal and dynamic effects requiring adequate clearance. Using a magnetically permeable, high dielectric strength material has the potential to improve magnetic performance, while at the same time offering performance advantages in heat transfer. Ferrofluids were studied as a method for improved permeability in the rotor / stator gap with a combined experimental and computational approach. Results show promise for the ferrofluid technique. An off-the-shelf motor system showed improved performance with ferrofluids vs. fluids of equivalent viscosity, and improved performance vs. an air gap at low RPM. New generator designs showed design dependent performance gains, although some potential for negative performance effects. A proof of concept generator was built and tested, with increased voltage vs. RPM predicted through virtual prototyping, and validated through experimentation, showing ~10% improvement on voltage vs. RPM at the <600 RPM range. More repeatable engineering tests demonstrated a ~30% increase in the voltage / RPM relationship for designs with an isolated stator chamber and a large stator - rotor gap. However, the effects were negative for a similar system with a small stator-rotor gap due to leakage flux effects. New contributions to the body of knowledge in this area include: • Application of the ferrofluid technique to axial flux designs. • Development of a virtual prototype, including variations in the fluid viscosity due to ferrohydrodynamic effects. • Consideration of negative effects of ferrofluid immersion, such as shear losses and increases in leakage flux. • Optimization of the design to eliminate increased viscous losses. The improved design has been designed, built, and tested, featuring isolation of the ferrofluid from the rotating region. This offers all of the performance gain of improved magnetic permeability, while minimizing the offsetting losses from increased shear effects.

A skyrmion is a vortex-like spin pattern which has been observed in so-called B20 magnetic systems such as MnSi, (Mn,Fe)Si and a few other metallic magnets as well as in insulating Cu₂OSeO₃. We conduct a comprehensive study of muon spin relaxation (μSR) on bulk single crystals of MnSi and (Mn,Fe)Si, a MBE thin film of MnSi, and a ceramic specimen of Cu₂OSeO₃ in this work. The generic second-order like phase transition indicated by 1/T₁ peaks at T_c in bulk systems is discussed in light of the Brazovskii-type first-order phase transition due to the presence of the DM interaction. We also discuss the different temperature dependences of μ⁺ spin-lattice relaxation rate 1/T₁ in bulk pure systems MnSi and Cu₂OSeO₃ and their commonalities in the paramagnetic state and the ordered state due to the DM interaction. Furthermore, we highlight the enhanced 1/T₁ in the skyrmion crystal (SkX) phase compared to neighboring conical phases due to an abundance of low-energy magnetic fluctuations/excitations. This abundance is corroborated by the reduced static order parameter in the SkX phase of MnSi compared to neighboring conical phases, deduced by combining μSR experiments and magnetic field simulations. The intermediate (IM) region above T_c, where the modification of magnetic transition by the DM interaction starts to appear in MnSi, exhibit multi-time scale spin fluctuations, topologically non-trivial Hall resistivity and non-Fermi-liquid exponent of longitudinal resistivity in single-crystal Mn₀.₉Fe₀.₁Si and the MnSi MBE thin film, similar to the magnetically disordered phase of pure MnSi under hydrostatic pressure. These three defining features indicate a fluctuating skyrmion liquid in this magnetically ordered state, stabilized by pressure, disorder or reduced dimensionality. Moreover, the magnetic transition is strongly first order in the MnSi MBE thin film sample, different from the Brazovskii-type weakly first order transition in bulk samples, suggesting the importance of reduced dimensionality in modifying the nature of magnetic phase transitions in B20 systems.

A high-temperature, high-pressure autoclave has been adapted for use with a high-field nuclear magnetic resonance spectrometer. The autoclave has an internal pressure range of atmospheric pressure to 1.5 kbar and a temperature range of 273 K to 1900 K. The autoclave is usable in a high field (8 T) magnet with a room temperature, 76.4 mm bore. The autoclave was tested using assorted nuclear species with resonant frequencies ranging from 57 to 70 MHz at pressures ranging from atmospheric pressure to 1220 bar and temperatures ranging from 273 K to 448 K. Previously, the autoclave was used in conjunction with an iron magnet at temperatures to 1900 K and pressures to 1.5 kbar. / Graduation date: 1997