Condensed Matter Physics Commons^™

Ferroelectric Hafnia Surface In Action, Xia Hong

Nebraska Center for Materials and Nanoscience: Faculty Publications

Piezoresponse microscopy and spectroscopy reveal the inextricable role of surface electrochemistry in stabilizing and controlling ferroelectricity in doped hafnia.

Doped hafnia (HfO₂), a relatively new member of the ferroelectric family, has challenged in many ways our conventional perception of ferroelectric oxides. It possesses extremely localized electric dipoles that are independently switchable,¹ making it immune to finite size effects — the loss of long-range dipole order in ferroic materials due to size scaling. While polycrystalline grains and microstructures can yield lower polarization and poorer cycling behavior in canonical ferroelectrics such as Pb(Zr,Ti)O₃ and BaTiO₃, in …

Synthesis, Characterization, And Simulation Of Two-Dimensional Materials, Lawrence Hudy

Theses and Dissertations

ABSTRACT

SYNTHESIS, CHARACTERIZATION, AND SIMULATION OF TWO-DIMENSIONAL MATERIALS

by

Lawrence Hudy

The University of Wisconsin-Milwaukee, 2023Under the Supervision of Professor Michael Weinert

This dissertation focuses on my journey through many aspects of surface science leading to the first principles investigation of transition metal dichalcogenides studying the impact of defects, twist, and decreasing interlayer separation to probe their effect on the electronic properties of these materials. My journey started out learning many aspects of material science such as methods for material synthesis and characterization but later ended on simulation of material properties using density functional theory. In the first experiments, we …

Domain Wall Saddle Point Morphology In Ferroelectric Triglycine Sulfate, C. J. Mccluskey, A. Kumar, Alexei Gruverman, I. Luk’Yanchuk, J. M. Gregg

Alexei Gruverman Publications

Ferroelectric domain walls, across which there is a divergence in polarization, usually have enhanced electrical conductivity relative to bulk. However, in lead germanate, head-to-head and tail-to-tail walls are electrically insulating. Recent studies have shown that this is because, when oppositely oriented domains meet, polar divergence is obviated by a combination of domain bifurcation and suspected local dipolar rotation. To explore the uniqueness, or otherwise, of this microstructure, we have used tomographic piezoresponse force microscopy to map three-dimensional domain morphologies in another uniaxial ferroelectric system: triglycine sulfate. This mapping reveals an abundance of domain wall saddle points, which are characteristic of …

Computational Modeling Of Superconductivity From The Set Of Time-Dependent Ginzburg-Landau Equations For Advancements In Theory And Applications, Iris Mowgood

Computational and Data Sciences (PhD) Dissertations

A full review of the research conducted and published during my PhD studies in Computational and Data Sciences at Chapman University, under the advisement of Dr. Armen Gulian, are presented. Using the set of time-dependent Ginzburg-Landau (TDGL) equations with inclusion of the interference current and the non-equilibrium phonon term, we modeled the dynamics of superconductors in various theory revealing states and practical purposes. A review of the history and phenomenon of superconductivity, including modern applications, is introduced. The Josephson effect and associated Josephson junction are discussed for comparison to our analogous results with the 1-D superconducting wire. The mathematics of …

Response Of The Isothermal Mode Grüneisen Tensor Across Phase Boundaries, Jasmine K. Hinton

UNLV Theses, Dissertations, Professional Papers, and Capstones

The assumptions for the 1912 Grüneisen parameter are reviewed, particularly in the cases of anisotropy, high temperatures, and across phase boundaries. Two main case studies are shown: β-Sn, and Cd. The main techniques of this work involve resistively heated diamond anvil cells with both optical Raman spectroscopy and x-ray diffraction. It is found in Sn that the isothermal mode Grüneisen tensor along increasing isotherms diverges from the single-valued temperature aggregate at the onset of melt, and this is proposed to use as a method of exploring melt phase boundaries in other systems. This method is examined once again on another …

Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith

UNLV Theses, Dissertations, Professional Papers, and Capstones

Hydrogen was predicted to be a high-temperature superconductor at near-megabar conditions in 1968,[1] but only recently was been experimentally observed.[2] This is due to the extraneous metrological constraint of requiring 5 megabars of pressure to stabilize. A more practical approach for synthesis of high-temperature superconductors has been pro-posed through the use of hydride compounds. Recently, a surge of rare earth hydrides have achieved critical superconducting transition temperatures (T_C ) close to room temperature.[3, 4, 5, 6] However, due to limitations of the necessary instrumentation to achieve megabar pressures, many techniques traditionally used to measure stoichiometry are unavailable.Three works presented in …

New Features In Landyne 5 - A Software Suite For Materials Characterization And Crystallography By Transmission Electron Microscopy, Xing-Zhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

Landyne software suite (version 5) includes fifteen standalone computer programs for materials characterization and crystallography by transmission electron microscopy [1]. A launcher interface is provided for users to access all components conveniently. The purpose of this software suite is twofold: i) as research tools to analyze experimental results, ii) as teaching tools to explore the varieties of electron diffraction methods and crystallographic image processing principles.

The Landyne suite previously included: PTable, an interactive periodic table of elements; SVAT, a structural visual and analytical tool; SAED and PCED, simulation and analysis of electron diffraction (spot and ring) patterns; QSAED and QPCED, …

Structural, Electronic, And Magnetic Properties Of Cofevge-Based Compounds: Experiment And Theory, Parashu Kharel, Zachary Lehmann, Gavin Baker, Lukas Stuelke, Shah R. Valloppilly, Paul M. Shand, Pavel V. Lukashev

Nebraska Center for Materials and Nanoscience: Faculty Publications

We have carried out a combined theoretical and experimental investigation of both stoichiometric and nonstoichiometric CoFeVGe alloys. In particular, we have investigated CoFeVGe, Co_1.25Fe_0.75VGe, Co_0.75Fe_1.25VGe, and CoFe_0.75VGe bulk alloys. Our first principles calculations suggest that all four alloys show ferromagnetic order, where CoFeVGe, Co_1.25Fe_0.75VGe, and Co_0.75Fe_1.25VGe are highly spin polarized with spin polarization values of over 80%. However, the spin polarization value of CoFe_0.75VGe is only about 60%. We have synthesized all four samples using arc melting and high-vacuum annealing …

Tem Studies Of A New Modulated Structure In Mn2Rusn Alloy And Intermetallic Phases In Fe3+XCo3–XTi2 (X = 0, 1, 2, 3) Alloys, Xing-Zhong Li, Shah R. Valloppilly

Nebraska Center for Materials and Nanoscience: Faculty Publications

Heusler compounds are a remarkable class of intermetallic materials with wide-ranging and tunable properties. The Mn₂RuSn Heusler compound was reported as an L2₁B-type cubic phase, a = 0.62195 nm, distinguishing from the original L2₁ structure (or L2₁A-type). The L2₁B-type structure is a disordered variant of the inverse Heusler structure, XA-type (Prototype-CuHg₂Ti, space group No. 216, F4–3m).

In our recent work [1], we observed a new modulated structure derived from the XA-type structure and its orthogonal domains in the Mn₂RuSn Heusler alloy. The structural characterization was carried out …

Entropy-Driven Structural Transition From Tetragonal To Cubic Phase: High Thermoelectric Performance Of Cucdinse3 Compound, Tingting Luo, Yihao Hu, Shi Liu, Fanjie Xia, Junhao Qiu, Haoyang Peng, Keke Liu, Quansheng Guo, Xingzhong Li, Dongwang Yang, Xianli Su, Jinsong Wu, Xinfeng Tang

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cu based chalcopyrite is an important class of thermoelectric materials with excellent electronic properties, however, the thermal conductivity is relatively high due to the simple tetragonal structure with highly ordered configuration on cation sites, limiting the thermoelectric performance. Herein, we realize that the modulation of entropy via alloying CdSe achieves the structural transition from tetragonal structure with ordered configuration on cations sites in CuInSe₂ compound to cubic CuCdInSe₃. CuCdInSe₃ crystallizes in a zinc blende (ZnS) structure where Cu, Cd and In cations randomly occupy the Zn site with the occupancy fraction 1/3. This entropy driven order-disorder …