Condensed Matter Physics Commons^™

A Theoretical And Experimental Study Of Charge Transport In Organic Thermoelectric Materials And Charge Transfer States In Organic Photovoltaics, Ashkan Abtahi

Theses and Dissertations--Physics and Astronomy

Applications of organic electronics have increased significantly over the past two decades. Organic semiconductors (OSC) can be used in mechanically flexible devices with potentially lower cost of fabrication than their inorganic counterparts, yet in many cases organic semiconductor-based devices suffer from lower performance and stability. Investigating the doping mechanism, charge transport, and charge transfer in such materials will allow us to address the parameters that limit performance and potentially resolve them. In this dissertation, organic materials are used in three different device structures to investigate charge transport and charge transfer. Chemically doped π-conjugated polymers are promising materials to be used …

Scanning Probe Microscopy Measurements On 2d Materials And Iridates, Armin Ansary

Theses and Dissertations--Physics and Astronomy

In the past two decades, there has been a quest to understand and utilize novel materials such as iridates and two-dimensional (2D) materials. These classes of materials show a lot of interesting properties both in theoretical predictions as well as experimental results. Physical properties of some of these materials have been investigated using scanning probe measurements, along with other techniques.

One-dimensional (1D) catalytic etching was investigated in few-layer hexagonal boron nitride (hBN) films. Etching of hBN was shown to share several similarities with that of graphitic films. As in graphitic films, etch tracks in hBN commenced at film edges and …

Structural, Transport, And Topological Properties Induced At Complex-Oxide Hetero-Interfaces, Justin K. Thompson

Theses and Dissertations--Physics and Astronomy

Complex-oxides have seen an enormous amount of attention in the realm of Condensed Matter Physics and Materials Science/Engineering over the last several decades. Their ability to host a wide variety of novel physical properties has even caused them to be exploited commercially as dielectric, metallic and magnetic materials. Indeed, since the discovery of high temperature superconductivity in the “Cuprates” in the late 1980’s there has been an explosion of activity involving complex-oxides. Further, as the experimental techniques and equipment for fabricating thin films and heterostructures of these materials has improved over the last several decades, the search for new and …

Suppression Of Magnetism In Ba5Alir2O11: Interplay Of Hund's Coupling, Molecular Orbitals, And Spin-Orbit Interaction, Sergey V. Streltsov, Gang Cao, Daniel I. Khomskii

Center for Advanced Materials Faculty Publications

The electronic and magnetic properties of Ba₅AlIr₂O₁₁ containing Ir-Ir dimers are investigated using the generalized gradient approximation (GGA) and GGA + spin-orbit coupling (SOC) calculations. We found that the strong suppression of the magnetic moment in this compound recently found by Terzic et al. [Phys. Rev. B 91, 235147 (2015)] is not due to charge ordering but is related to the joint effect of the spin-orbit interaction and strong covalency, resulting in the formation of metal-metal bonds. They conspire and act against the intraatomic Hund's rule exchange interaction to reduce total magnetic moment of the …

Structure And Physical Properties Of Srniru5O11 Single Crystals: An R-Type Ferrite Based On Ordered Kagome Nets, L. Shlyk, Lance E. De Long, R. Niewa

Physics and Astronomy Faculty Publications

Single crystals of the R-type ferrite SrNiRu₅O₁₁ were grown from a chloride flux. The hexagonal crystal structure contains ruthenium located on distorted kagome nets. The low-temperature dc magnetic susceptibilities (χ_⊥ and χ_∥, perpendicular and parallel to the c axis, respectively) diverge as T^−0.3, and do not exhibit any indication of long-range magnetic order down to 4.5 K. The electrical resistivity varies as T^1.6 below 40 K, which is typical of non-Fermi liquids, and may originate from a competition between residual magnetic interactions among Ni²⁺ (S = 1) spins …

Simultaneous Metal-Insulator And Antiferromagnetic Transitions In Orthorhombic Perovskite Iridate Sr0.94Ir0.78O2.68 Single Crystals, Hao Zheng, Jsaminka Terzic, Feng Ye, X. G. Wan, D. Wang, Jinchen Wang, Xiaoping Wang, P. Schlottmann, Shujuan Yuan, Gang Cao

Center for Advanced Materials Faculty Publications

The orthorhombic perovskite SrIrO₃ is a semimetal, an intriguing exception in iridates where the strong spin-orbit interaction coupled with electron correlations tends to impose an insulating state. We report results of our investigation of bulk single-crystal S_r0.94Ir_0.78O_2.68 or Ir-deficient, orthorhombic perovskite SrIrO₃. It retains the same crystal structure as stoichiometric SrIrO₃ but exhibits a sharp, simultaneous antiferromagnetic (AFM) and metal-insulator (MI) transition occurring in the basal-plane resistivity at 185 K. Above it, the basal-plane resistivity features an extended regime of almost linear temperature dependence up to 800 K but the strong …

Anisotropic Softening Of Magnetic Excitations In Lightly Electron-Doped Sr2Iro4, X. Liu, M. P. M. Dean, Z. Y. Meng, M. H. Upton, T. Qi, T. Gog, Y. Cao, J. Q. Lin, D. Meyers, H. Ding, Gang Cao, J. P. Hill

Center for Advanced Materials Faculty Publications

The magnetic excitations in electron-doped (Sr_1−xLa_x)₂IrO₄ with x = 0.03 were measured using resonant inelastic x-ray scattering at the Ir L₃ edge. Although much broadened, well defined dispersive magnetic excitations were observed. Comparing with the magnetic dispersion from the undoped compound, the evolution of the magnetic excitations upon doping is highly anisotropic. Along the antinodal direction, the dispersion is almost intact. On the other hand, the magnetic excitations along the nodal direction show significant softening. These results establish the presence of strong magnetic correlations in electron-doped (Sr_1−xLa_{x …}

Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan

Theses and Dissertations--Chemical and Materials Engineering

Silicon (Si) has been considered as a promising negative electrode material for lithium ion batteries (LIBs) because of its high theoretical capacity, low discharge voltage, and low cost. However, the utilization of Si electrode has been hampered by problems such as slow ionic transport, large stress/strain generation, and unstable solid electrolyte interphase (SEI). These problems severely influence the performance and cycle life of Si electrodes. In general, ionic conduction determines the rate performance of the electrode, while electron leakage through the SEI causes electrolyte decomposition and, thus, causes capacity loss. The goal of this thesis research is to design Si …

Magnetic And Crystal Structures Of Sr2Iro4: A Neutron Diffraction Study, Feng Ye, Songxue Chi, Bryan C. Chakoumakos, Jaime A. Fernandez-Baca, Tongfei Qi, Gang Cao

Center for Advanced Materials Faculty Publications

We report a single-crystal neutron diffraction study of the layered Sr₂IrO₄. This work unambiguously determines the magnetic structure of the system and reveals that the spin orientation rigidly tracks the staggered rotation of the IrO₆ octahedra in Sr₂IrO₄. The long-range antiferromagnetic order has a canted spin configuration with an ordered moment of 0.208(3) μ_B/Ir site within the basal plane; a detailed examination of the spin canting yields 0.202(3) and 0.049(2) μ_B/site for the a axis and the b axis, respectively. It is intriguing that forbidden nuclear reflections …