Physics Commons^™

From Pyrochlore To The Tripod Kagome Lattice: Magnetism Of New Compound Family A2re3sb3o14 (A = Mg, Zn; Re = Pr, Nd, Gd, Tb, Dy, Ho, Er, Yb), Zhiling Dun

Doctoral Dissertations

Geometrical frustration refers to the inability of a complex system to satisfy all its competing interactions within an underlying topological constrained lattice. The two-dimensional kagome lattice is one of the most frustrated lattices and has been a favorite in the theoretical condensed matter community. However, the large variety of exotic states predicted in kagome lattices lies in contrast to a paucity of experimental systems, making new kagome lattice compounds highly desired.

In this dissertation, I shall provide a systematic study of the structural and magnetic properties of a new compounds family, A2RE3Sb3O14 (A = Mg, Zn; RE = Pr, Nd, …

Numerical Studies Of Iron Based Superconductors Using Spin-Fermion Models, Christopher Brian Bishop

Doctoral Dissertations

The iron pnictide and iron chalchogenide superconductors are studied numerically using classical Monte Carlo techniques to reproduce experimental data and make predictions about the nature of the relevant interactions. The focus will be using Spin-Fermion models in a classical approximation to explore the phase diagram and calculate important physical properties of these materials over a wide range of temperatures.

Local Moments And Itinerant Electrons: Gaining New Insights Through Investigating Electronic And Dynamical Properties, Nicholas Steven Sirica

Doctoral Dissertations

Magnetic materials are often categorized in terms of either a purely local or a purely itinerant picture despite the fact that the vast majority actually fall within a spectrum that ranges between these two extremes. It is from such a starting point that this thesis aims at developing an understanding of how the complex interplay between local moments and itinerant electrons ultimately affects the electronic and dynamical properties. Such ideas are explored in greater detail using two materials as case studies: the chiral helimagnet Cr_1/3NbS₂ [Cr intercalated Niobium Disulfide] and YFe₂Ge₂ [Yttrium Iron Germanide] …

First-Principles Study Of Point Defect Behavior At Interfaces And In-Plane Strain Fields, Jianqi Xi

Doctoral Dissertations

Interfaces in solid materials are the so-called boundaries, separating crystals with the same structure and chemistry but different orientations, e.g. grain boundaries (GBs), different stacking sequences, e.g. stacking faults (SFs), or crystals with different structures and/or chemistries as well as orientations, e.g. the interface between substrate and thin film. In this study, first-principles calculations are used to investigate the defect behavior at different interfaces and in-plane strain fields, such as stacking fault (SF) in silicon carbide (SiC), in-plane strain field near interfaces in potassium tantalate (KTaO₃), and grain boundary in ceria (CeO₂).

Results show that the …

Electronic And Magnetic Materials Under External Stimuli, Kenneth Robert O'Neal

Doctoral Dissertations

The interaction between spin, charge, and lattice degrees of freedom leads to exotic and useful properties in multifunctional materials. This delicate balance of energy scales allows external stimuli such as temperature, magnetic field, or pressure to drive to novel phases. As a local probe technique, spectroscopy can provide insight into the microscopic mechanism of the phase transitions. In this dissertation I present spectroscopic studies of functional materials under extreme conditions.

Nanomaterials have attracted attention because nanoscale confinement affects various material properties and often reduces energy scales or suppress phase transitions. Combining Raman and infrared spectroscopies reveals that the breakdown mechanism …

Unveiling Quantum Critical Phenomena In Selected Rare Earth Intermetallic Compounds, Lekhanath Poudel

Doctoral Dissertations

The quantum critical phenomenon of CeCu_6-xAu_x (x =0.1) [gold-doped cerium copper six] presents a host of intriguing puzzles: In particular, the dynamic susceptibility showing E/T-scaling with a fractional exponent of 0.75 is a surprise and is clearly inconsistent with the established approach developed by Hertz, Millis, and Moriya (HMM). Interestingly, the phase diagram of CeCu_6-xAu_x [gold-doped cerium copper six] also suggests a zero temperature structural phase transition, raising the possibility of a structural quantum critical point (QCP). To provide a further insight into the unconventional quantum criticality and to investigate the possibility of …

Properties And Manipulation Of Ionic Liquid-Solid Interfaces In Complex Oxide Materials, Anthony Thomas Wong

Doctoral Dissertations

Ionic liquids are liquid salts that are bringing rapid changes to the field of solid electronic materials. The implementation of ionic liquids in conjunction with these solid materials produces interfacial effects, especially when a bias is applied across the ionic liquid, forming an electric double layer. Electric double layers in ionic liquids are unique in their formation and the interfacial charges that are orders of magnitude higher than conventional techniques they can impart, providing new techniques for device design and implementation. In chapter 1, the fundamentals of the solid state electronic and magnetic materials are introduced, along with ionic liquids, …

Understanding Three-Body Interactions In Hexagonal Close Packed Solid He-4, Ashleigh Locke Barnes

Doctoral Dissertations

The ground state properties of hexagonal close packed (hcp) solid ⁴He [He-4] are dominated by large atomic zero point motions which make the primary contribution to the solid’s low-temperature Debye-Waller (DW) factors. Preliminary investigations have also suggested that three-body interactions can play an important role in this system, particularly at higher densities. However, due to their computational cost, these interactions are not generally incorporated into theoretical models of solid ⁴He [He-4]. In order to accurately treat both zero point motion and three-body interactions, we have developed a perturbative treatment in which the three-body energy is added as a …

Investigating The Properties Of Superfluid He-4 Through Density Functional Calculations, Matthew Francis Dutra

Doctoral Dissertations

We present a study of isotopically pure He-4 systems evaluated using helium density functional theory (He-DFT) with the intent of better understanding their ground state structural and energetic properties, particularly within the scope of singularly-doped helium droplets. We self-consistently solve for the density profiles and chemical potentials for a wide range of pure helium droplet sizes (up to 9500 atoms) via an imaginary time propagation method, and fit the resultant energetic data to a power law formula to be able to extrapolate values for even larger droplets. Subsequent calculations on singularly-doped droplets within the same size range yield accurate binding …