Physical Sciences and Mathematics Commons^™

Physical And Magnetic Properties Of Nanosized Mn0.5ni0.5¬Fe2-Xprxo4 Prepared By Co-Precipitation Method, Douaa El-Said Bakeer, Khulud Habanjar, Ghassan Youness, Mohammad Abou Ghoush

BAU Journal - Science and Technology

Nanosized Mn_0.5Ni_0.5Fe_2-xPr_xO₄, x=0.0, 0.02, 0.04, 0.06, 0.08, 0.1 and 0.15 are prepared by co-precipitation method at calcination temperature 650^oC for 4 hours. X-ray diffraction patterns show the presence of the cubic (Mn-Ni)- ferrite phase and anti-ferromagnetic a-Fe₂O₃. The variation in the lattice parameter “a” is due to the replacement of smaller radius ions Fe⁺³ by larger radius ions Pr⁺³. Transmission electron micrographs indicate that the particles are spherical in shape. The moderately agglomerated particles are present due to the …

Spin-Dependent Electronic Transport In Noncollinear Antiferromagnetic Antiperovskites, Gautam Gurung

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

Spin-dependent properties are the heart of spintronic devices. Spintronics exploits electron’s spin, in addition to charge, to process and store the information. Recently, antiferromagnetic (AFM) spintronics has emerged as a subfield of spintronics, where an AFM order parameter (the Néel vector) is exploited to control spin-dependent transport properties. Due to being robust against magnetic perturbations, producing no stray fields, and exhibiting ultrafast dynamics, antiferromagnets can serve as promising functional materials for spintronic applications.

Among antiferromagnets, high Néel temperature noncollinear antiperovskites ANMn₃ (A = Ga, Ni, Sn, and Pt) are interesting due to their magnetic group symmetry supporting non-trivial spin-dependent …

Study Of The Geometric Structure Of Low-Atomic Copper Clusters Using Computer Simulation, Nodirbek Ikromjonovich Ibrokhimov

Scientific-technical journal

In this work, we investigated the geometric structure of small neutral copper clusters with low energy using the MD (Molecular Dynamics) method. When calculating the processes of interatomic interaction, we used a potential EAM (Embedded-atom method). A computer model of Cu_n (n = 2-13) clusters has been created. The geometric shapes of the Cu₂, Cu₃, Cu₄, Cu₅, Cu₆, Cu₇, Cu₈, Cu₉, Cu₁₀, Cu₁₁, Cu₁₂, and Cu₁₃ clusters have been studied and the structural parameters (Cu-Cu bond …

Preparation And Characterization Of Multiwall Carbon Nanotubes Decorated With Copper Oxide, Mohamed Morsy

Nanotechnology Research Centre

Multi-walled carbon nanotubes (MWCNTs) are special form of carbon nano materials with amazing applications in many areas of research.MWCNTs were synthesized by anAtmospheric Chemical Vapor Deposition (ACVD) system then decorated on their surface with Copper Oxide (CuO) nanoparticles via the hydrothermal method. The prepared un-purifiedMWCNTs and purified MWCNTs were characterized by High Resolution Transmittance Electron Microscope (HRTEM), Xray Diffraction (XRD) and Raman spectroscopy. As well as the CuO/MWCNTs nanocomposite was characterized by HRTEM, XRD, Fourier Transform Infra-Red Spectroscopy (FTIR), Thermogravimetric Analysis (TGA) Differential Thermal Analysis (DTA) and Raman spectroscopy. The results demonstrated the distribution of CuO nano particles on the …

Rigid Aggregation Of Inclusions Embedded In Quasi 2d Fluids, Natalie Xochitl Ryan

Physics

Diffusion is a transport process common in several biological systems. In this process particles of different species mix together through random (stochastic) motion at molecular length scales. Diffusion in fluids is unique as the coupling of the flow and fluid have been found to produce giant concentration fluctuations. The molecular length scale of these concentration fluctuations are magnitudes larger than the movement of the particles themselves, earning them the title “giant”. The diffusion of particles in bio-membranes displays a combination of 2D and 3D hydrodynamic properties; the movements of the particles are restricted to the plane of the membrane and …

Computational Study Of Grain Structure Evolution In Cdte/Cds Via Molecular Dynamics, Sharmin Abdullah

Open Access Theses & Dissertations

Grain structure analysis plays an important role in the identification of grain boundary characteristics, which can affect the efficiency of Cadmium Telluride/Cadmium Sulfide (CdTe/CdS) solar cells since they can act as recombination centers for carriers. Computer simulations such as molecular dynamics (MD) can be a very convenient and cost- effective method of investigating the growth evolution and grain structure of materials. The recently reported and experimentally validated MD simulated growth of polycrystalline CdTe/CdS films shows that these materials mostly consist of zinc blende (ZB) and wurtzite (WZ) structures, along with highly disordered atoms. However, little information about the semiconductor compound …

Dreams Of Molecular Beams: Indium Gallium Arsenide Tensile-Strained Quantum Dots And Advances Towards Dynamic Quantum Dots (Moleculare Radiorum Somnia: Indii Gallii Arsenicus Tensa Quanta Puncta Et Ad Dinamicae Quantae Puntae Progressus), Kevin Daniel Vallejo

Boise State University Theses and Dissertations

Through the operation of a molecular beam epitaxy (MBE) machine, I worked on developing the homoepitaxy of high quality InAs with a (111)A crystallographic orientation. By tuning substrate temperature, we obtained a transition from a 2D island growth mode to step- ow growth. Optimized MBE parameters (substrate temperature = 500 °C, growth rate = 0.12 ML/s and V/III ratio ⩾ 40) lead to growth of extremely smooth InAs(111)A films, free from hillocks and other 3D surface imperfections. We see a correlation between InAs surface smoothness and optical quality, as measured by photoluminescence spectroscopy. This work establishes InAs(111)A as a platform …

Voltage Controlled Néel Vector Rotation In Zero Magnetic Field, Ather Mahmood, Will Echtenkamp, Mike Street, Jun Lei Wang, Shi Cao, Takashi Komesu, Peter Dowben, Pratyush Buragohain, Haidong Lu, Alexei Gruverman, Arun Parthasarathy, Shaloo Rakheja, Christian Binek

Peter Dowben Publications

Multi-functional thin films of boron (B) doped Cr₂O₃ exhibit voltage-controlled and nonvolatile Néel vector reorientation in the absence of an applied magnetic field, H. Toggling of antiferromagnetic states is demonstrated in prototype device structures at CMOS compatible temperatures between 300 and 400 K. The boundary magnetization associated with the Néel vector orientation serves as state variable which is read via magnetoresistive detection in a Pt Hall bar adjacent to the B:Cr₂O₃ film. Switching of the Hall voltage between zero and non-zero values implies Néel vector rotation by 90 degrees. Combined magnetometry, spin resolved inverse …

Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa

Graduate Theses and Dissertations

This dissertation contains several investigations on the cross-coupling between structural and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first-principles calculations and ab-initio-based Monte-Carlo simulations. We start with the reviews of magnetoelectricity, ferrimagnetism, strain engineering, followed by a brief introduction to first-principles computational methods, magnetic effective Hamiltonians, and other techniques that are utilized here. The results section of the dissertation can be divided into two parts. The first half focuses on magnetoelectric effects arising from different sources, while the second half is about the ferrimagnetic nature of materials. In the first part, we examine the epitaxial …

Towards Long Term Colloid Suspension In A Vertically Rotated System., Md Mahmudur Rahman

Electronic Theses and Dissertations

Within a colloidal suspension gravity may compromise the observation of governing physical interactions, especially those that are weak and/or take significant time to develop. Conducting the experiment in a long-term microgravity environment is a viable option to negate gravitational effects, though significant resources are required to do so. While it may not be possible to simulate long-term microgravity terrestrially, particles can resist quick sedimentation in a confined suspension system rotating vertically with appropriate rotation speed. The goal of the investigation is to demonstrate the existence of long-term particle suspension regime for a certain colloidal suspension while characterizing colloidal behavior due …

Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi

Graduate Theses and Dissertations

Thermoelectric materials have potential properties for utilizing waste heat. The computations are used to estimate the electronic structure of CoRhYSi (Y = Cr, Mn) Quaternary Heusler alloys, as well as their elastic and magnetic characteristics. The full-potential linearized augmented plane wave is used in the calculations. The exchange-correlations are addressed using Perdew–Burke and Ernzerhof's generalized gradient approximation (GGA-PBE). With the exception of CoRhCrSi and CoRhMnSi, which are simple ferromagnets that are approximately half metallic in nature, electronic structure calculations demonstrate that these compounds have a gap in the minority states band and are obviously half-metallic ferromagnets. The magnetic moments of …

Gaas Growth On Sapphire Substrates (C And R Plane) For Integrated Microwave Photonics (Imwp), Samir Kumar Saha

Graduate Theses and Dissertations

The microwave signal processing in the optical domain creates new opportunities for information and communication technology (ICT) and networks by increasing speed, bandwidth, and processing capability. IMWP incorporates the functions of microwave photonics components/subsystems in monolithic or hybrid photonic circuits to meet future needs. Sapphire platforms have the potential to integrate all-in-one, for instance, light source, analog signal processing, light detection, CMOS control circuit, silicon on sapphire to achieve high-performance, low-cost mixed-signal optical links etc. Molecular beam epitaxy (MBE) has been used to grow GaAs on sapphire substrates to integrate optoelectronic devices in the same platform.

The initial stage of …

Two-Dimensional Black Phosphorus For Terahertz Emission And Near-Field Radiative Heat Transfer, Mahmudul Hasan Doha

Graduate Theses and Dissertations

The main focus of this work is to investigate two potential optical and optoelectronic applications of black phosphorus (BP): the near-field radiative heat transfer in plasmonic heterostructures with graphene and terahertz emission from multi-layer BP photoconductive antennas. When the separation distance between graphene-black phosphorene is much smaller than or comparable to the thermal wavelength at different temperatures, a near-field radiation heat transfer breaks the Planck blackbody limit. The magnitude of the near-field radiation enhancement acutely depends on the gate voltage, doping, and vacuum gap of the graphene and BP pair. The strong near-field radiation heat transfer enhancement of the specific …

Entropic Density Functional Theory : Entropic Inference And The Equilibrium State Of Inhomogeneous Fluids, Ahmad Yousefi

Legacy Theses & Dissertations (2009 - 2024)

A unified formulation of the density functional theory is constructed on the foundations of entropic inference in both the classical and the quantum regimes. The theory is introduced as an application of entropic inference for inhomogeneous fluids in thermal equilibrium. It is shown that entropic inference reproduces the variational principle of DFT when informationabout expected density of particles is imposed. In the classical regime, this process introduces a family of trial density-parametrized probability distributions, and consequently a trial entropy, from which the preferred one is found using the method of Maximum Entropy (MaxEnt). In the quantum regime, similarly, the process …

Ultrafast Magnetic Entropy Dynamics With Time-Resolved Pump-Probe Magneto-Optical Technique., Sahar Goharshenasanesfahani

Electronic Theses and Dissertations

It has been observed that ultrathin films, multilayers, or magnetic nanostructures indicate novel magnetic phenomena that differ profoundly from the respective bulk properties. Besides, because of the broad applications of these magnetic materials in the industry, they are an exciting research area. Hence, investigating the low-dimensional magnetic systems is one of the most active fields in experimental condensed matter physics. Magnetization dynamics can occur over a wide range of time scales (from seconds to femtoseconds). Some of these processes even occur on time scales as short as a few picoseconds (10^-12s) or femtoseconds (10^-15s). Measurement of …

First Principle Studies Of The Effects Of Alkali-Metal Intercalation On Structural Transition From Black To Blue Phosphorene And The Adsorption Of N2h4 On Ws2 Layers., Md Rajib Khan Musa

Electronic Theses and Dissertations

A comprehensive density functional theory calculation has been conducted to seek a potential structural transition from black to blue phosphorene layers, with a focus on the roles played by alkali-metal intercalation in black phosphorene/phosphorus. This study reveals that at sufficiently high Li concentration and specific, well-defined configurations, a phase transition from black to blue phosphorene can take place. The Li atoms intercalated in black phosphorene could act as a “catalyst” in the“reactive region” of the lone pair of P atoms, leading to a P-P bond breaking and, subsequently, a local structural transformation from an orthorhombic lattice to an assembly of …

Accelerating Dynamical Density Response Code On Summit And Its Application For Computing The Density Response Function Of Vanadium Sesquioxide, Wileam Y. Phan

Masters Theses

This thesis details the process of porting the Eguiluz group dynamical density response computational platform to the hybrid CPU+GPU environment at the Summit supercomputer at Oak Ridge National Laboratory (ORNL) Leadership Computing Center. The baseline CPU-only version is a Gordon Bell-winning platform within the formally-exact time-dependent density functional theory (TD-DFT) framework using the linearly augmented plane wave (LAPW) basis set. The code is accelerated using a combination of the OpenACC programming model and GPU libraries -- namely, the Matrix Algebra for GPU and Multicore Architectures (MAGMA) library -- as well as exploiting the sparsity pattern of the matrices involved in …

Ab-Initio And Empirical Simulations Of Aluminum And Copper Metal, William Wolfs

UNLV Theses, Dissertations, Professional Papers, and Capstones

In this work, I perform detailed calculations on the bulk and electronic properties of aluminum and copper metal. Originally, I was motivated by experimental work on the solidsolid phase changes in pure aluminum. These phase changes were well predicted by density functional theory(DFT) but difficult or impossible to predict using embedded atom method potentials(EAM). EAM potentials are in wide use to describe many properties of bulk materials, and it seemed worrying that something so basic as a phase change could not be predicted. I began running high precision calculations with DFT and compared the results to EAM potentials which had …

Effect Of Pressure On The Electrical Transport And Structural Properties Of Ybnio3, Mostafa Gala El Dine Zeama

Archived Theses and Dissertations

No abstract provided.

Crystal Structure Prediction Of Materials At Extreme Conditions, Ashley S. Williams

USF Tampa Graduate Theses and Dissertations

The prediction of the structure of a crystal given only the constituent elements is one of the greatest challenges in both materials science and computational science alike. If one were to try to predict a novel crystal by brute force, meaning by arranging the atoms in every possible position of the unit cell and optimizing the geometry to find the energy minima of the potential energy surface, the amount of computer resources required to complete the calculation on the timescale of a few years would vastly exceed the currently installed computational capacity of the entire world. Fortunately, several methods have …

Interface-Induced Lattice Structure And Magnetism In Ultrathin Transition Metal Oxide Trilayers, David Howe

LSU Doctoral Dissertations

The study of magnetism has been a rich playground in condensed matter physics due to the multiple mechanisms capable of producing the effect and its relationship to multiple characteristics of a material. Transition metal oxides (TMOs) have been of particular interest for ongoing research into magnetic phenomenon due to the abundance of interesting physical phenomena found in member systems such as colossal magnetoresistance, skyrmion formation, and interface-driven 2D electron gases. Thin films introduce an additional thickness-dependent element, where reduction below a critical thickness eliminates the magnetic coherence of a system and FM order is lost. The atomic structure of these …

Carbon Nano Based Materials And Their Composites For Gas Sensing Applications: Review, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.

Semi-Empirical Modeling Of Liquid Carbon's Containerless Solidification, Philip Chrostoski

Dissertations

Elemental carbon has important structural diversity, ranging from nanotubes through graphite to diamond. Previous studies of micron-size core/rim carbon spheres extracted from primitive meteorites suggest they formed around such stars via the solidification of condensed carbon-vapor droplets, followed by gas-to-solid carbon coating to form the graphite rims. Similar core/rim particles result from the slow cooling of carbon vapor in the lab. The long-range carbon bond-order potential was used to computationally study liquid-like carbon in (1.8 g/𝐜𝐦𝟑) periodic boundary (tiled-cube supercell) and containerless (isolated cluster) settings. Relaxations via conjugate-gradient and simulatedannealing nucleation and growth simulations using molecular dynamics were done to …

Texturing In Bi2Te3 Alloy Thermoelectric Materials: An Applied Physics Investigation, Oluwagbemiga P. Ojo

USF Tampa Graduate Theses and Dissertations

Thermoelectric devices provide the means for direct conversion between heat and electricity. The device conversion efficiency, or performance, is directly related to the thermoelectric figure of merit, ZT, of the working materials. Bismuth telluride alloys are the materials currently in use in most thermoelectric devices for near room temperature solid-state refrigeration and power conversion applications. The vast majority of publications in the literature on thermoelectricity report on investigations towards developing new materials with enhanced thermoelectric properties, however Bi₂Te₃ alloys have been used in thermoelectric devices for decades.

In this thesis, an investigation of crystallographic texturing on large …

Ferromagnetic Resonances In Single-Crystal Yttrium Iron Garnet Nanofilms Fabricated By Metal-Organic Decomposition, Szu Fan Wang, Kayetan Chorazewicz, Suvechhya Lamichhane, Ronald A. Parrott, Stefano Cabrini, Peter Fischer, Noah Kent, John H. Turner, Takayuki Ishibashi, Zachary Parker Frohock, Jacob J. Wisser, Peng Li, Ruthi Zielinski, Bryce Herrington, Yuri Suzuki, Mingzhong Wu, Keiko Munechika, Carlos Pina-Hernandez, Robert Streubel, Allen A. Sweet

Robert Streubel Papers

Tunable microwave and millimeter wave oscillators and bandpass filters with ultra-low phase noise play a critical role in electronic devices, including wireless communication, microelectronics, and quantum computing. Magnetic materials, such as yttrium iron garnet (YIG), possess ultra-low phase noise and a ferromagnetic resonance tunable up to tens of gigahertz. Here, we report structural and magnetic properties of single-crystal 60 and 130 nm-thick YIG films prepared by metal-organic decomposition epitaxy. These films, consisting of multiple homoepitaxially grown monolayers, are atomically flat and possess magnetic properties similar to those grown with liquid-phase epitaxy, pulsed laser deposition, and sputtering. Our approach does not …

Pattern Formation And Phase Transition Of Connectivity In Two Dimensions, Arman Mohseni Kabir

Doctoral Dissertations

This dissertation is devoted to the study and analysis of different types of emergent behavior in physical systems. Emergence is a phenomenon that has fascinated researchers from various fields of science and engineering. From the emergence of global pandemics to the formation of reaction-diffusion patterns, the main feature that connects all these diverse systems is the appearance of a complex global structure as a result of collective interactions of simple underlying components. This dissertation will focus on two types of emergence in physical systems: emergence of long-range connectivity in networks and emergence and analysis of complex patterns. The most prominent …

Wave Function Identity: A New Symmetry For 2-Electron Systems In An Electromagnetic Field, Marlina Slamet, Viraht Sahni

Publications and Research

Stationary-state Schrödinger-Pauli theory is a description of electrons with a spin moment in an external electromagnetic field. For 2-electron systems as described by the Schrödinger-Pauli theory Hamiltonian with a symmetrical binding potential, we report a new symmetry operation of the electronic coordinates. The symmetry operation is such that it leads to the equality of the transformed wave function to the wave function. This equality is referred to as the Wave Function Identity. The symmetry operation is a two-step process: an interchange of the spatial coordinates of the electrons whilst keeping their spin moments unchanged, followed by an inversion. The Identity …

Magnetic Field Perturbations To A Soft X-Ray-Activated Fe (Ii) Molecular Spin State Transition, Guanhua Hao, Alpha T. N’Diaye, Thilini K. Ekanayaka, Ashley S. Dale, Xuanyuan Jiang, Esha Mishra, Corbyn Mellinger, Saeed Yazdani, John W. Freeland, Jian Zhang, Ruihua Cheng, Xiaoshan Xu, Peter Dowben

Peter Dowben Publications

The X-ray-induced spin crossover transition of an Fe (II) molecular thin film in the presence and absence of a magnetic field has been investigated. The thermal activation energy barrier in the soft X-ray activation of the spin crossover transition for [Fe{H₂B(pz)₂ }₂ (bipy)] molecular thin films is reduced in the presence of an applied magnetic field, as measured through X-ray absorption spectroscopy at various temperatures. The influence of a 1.8 T magnetic field is sufficient to cause deviations from the expected exponential spin state transition behavior which is measured in the field free case. We find …

Giant Transport Anisotropy In Res2 Revealed Via Nanoscale Conducting-Path Control, Dawei Li, Shuo Sun, Jingfeng Song, Ding-Fu Shao, Evgeny Y. Tsymbal, Stephen Ducharme, Xia Hong

Stephen Ducharme Publications

The low in-plane symmetry in layered 1T’-ReS₂ results in strong band anisotropy, while its manifestation in the electronic properties is challenging to resolve due to the lack of effective approaches for controlling the local current path. In this work, we reveal the giant transport anisotropy in monolayer to four-layer ReS2 by creating directional conducting paths via nanoscale ferroelectric control. By reversing the polarization of a ferroelectric polymer top layer, we induce a conductivity switching ratio of >1.5 × 10⁸ in the ReS2 channel at 300 K. Characterizing the domain-defined conducting nanowires in an insulating background shows that the …

Functional Nanoparticles: Tin Monoxide And Molybdenum Disulfide Quantum Dots On Graphene Nanosheets, Denys Vidish

Electronic Thesis and Dissertation Repository

Light harvesting can be referred to the use of an ensemble of different nanoparticles, or quantum dots, or other absorbers to optimize the ability to capture a given spectrum of electromagnetic radiation (for example the solar spectrum under specific atmospheric conditions) in a light-absorbing system. To this end, different nanoparticles play complementary functions within the system and absorb or scatter light at different wavelength intervals. Light harvesting finds applications in fields as diverse as solar cells, photosynthesis and photocatalysis. Graphene supporting a set of different semiconducting nanoparticles has often been proposed as light harvesters. To further this concept, my thesis …