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Magnetization Dynamics In A Modified Square Artificial Spin Ice, Amrit Kaphle 2022 University of Kentucky

Magnetization Dynamics In A Modified Square Artificial Spin Ice, Amrit Kaphle

Theses and Dissertations--Physics and Astronomy

Artificial spin ices are magnetic metamaterials consisting of nanomagnet arrays in a 2-D lattice. Typically, these nanomagnet arrays are binary macrospins that can only be in an up or down state similar to the Ising spins. They have been intensively used to study magnetic frustration and ordering phenomena in a controlled environment. The hexagonal artificial spin ice and square artificial spin ice are among the most heavily studied systems. In this dissertation, we designed a modified square artificial spin ice system by an ordered substitution of a double-segment for a nanomagnet array in the unit cell of square artificial spin …


A Modulated Structure Derived From The Xa-Type Mn2Rusn Heusler Compound, Xingzhong Li, Wen-Yong Zhang, Ralph Skomski, David J. Sellmyer 2022 University of Nebraska-Lincoln

A Modulated Structure Derived From The Xa-Type Mn2Rusn Heusler Compound, Xingzhong Li, Wen-Yong Zhang, Ralph Skomski, David J. Sellmyer

Faculty Publications from Nebraska Center for Materials and Nanoscience

A modulated structure derived from the inverse Heusler phase (the XA-type and the disordered variant L21B-type) has been observed in rapidly quenched Mn2RuSn ribbons. The powder X-ray diffraction pattern of the quenched ribbons can be indexed as an L21B-type structure. Electron diffraction patterns of the new structure mostly resemble those of the XA-type (and the disordered variant L21B-type) structure and additional reflections with denser spacing indicate a long periodicity. Orthogonal domains of the modulated structure were revealed by a selected-area electron diffraction pattern and the corresponding dark-field transmission electron microscopy images. The structure was …


Localization Effects And Anomalous Hall Conductivity In A Disordered 3d Ferromagnet, Paul M. Shand, Y. Moua, G. Baker, Shah R. Valloppilly, Pavel V. Lukashev, Parashu Kharel 2022 University of Northern Iowa

Localization Effects And Anomalous Hall Conductivity In A Disordered 3d Ferromagnet, Paul M. Shand, Y. Moua, G. Baker, Shah R. Valloppilly, Pavel V. Lukashev, Parashu Kharel

Faculty Publications from Nebraska Center for Materials and Nanoscience

We have prepared the Heusler alloy CoFeV0.5Mn0.5Si in bulk form via arc melting. CoFeV0.5Mn0.5Si is ferromagnetic with a Curie temperature of 657 K. The longitudinal resistivity exhibits a minimum at 150 K, which is attributable to competition between quantum interference corrections at low temperatures and inelastic scattering at higher temperatures. The magnetoresistance (MR) is positive and nearly linear at low temperatures and becomes negative at temperatures close to room temperature. The positive MR in the quantum correction regime is evidence of the presence of the enhanced electron interaction as a contributor to …


Thermalization And Quantum Information In Conformal Field Theory, Ashish Kakkar 2022 University of Kentucky

Thermalization And Quantum Information In Conformal Field Theory, Ashish Kakkar

Theses and Dissertations--Physics and Astronomy

The consequences of the constraints of conformal symmetry are far-reaching within
theoretical physics. In this dissertation we address a series of questions in conformal
field theory: 1) We calculate the spectrum of qKdV charges in a large central charge
expansion. 2) We determine the corrections to bulk information geometry from 1/N
contributions to holographic correlators. 3) We study the higher genus partitions
functions of CFTs associated with classical and quantum error-correcting codes.


From Evaluating The Performance Of Approximations In Density Functional Theory To A Machine Learning Design, Pedram Tavazohi 2022 West Virginia University

From Evaluating The Performance Of Approximations In Density Functional Theory To A Machine Learning Design, Pedram Tavazohi

Graduate Theses, Dissertations, and Problem Reports

Density-functional theory (DFT) has gained popularity because of its ability to predict the properties of a large group of materials a priori. Even though DFT is exact, there are inaccuracies introduced into the theory due to the approximations in the exchange-correlation (XC) functionals. Over the 50 years of its existence, scientists have tried to improve the design of the XC functionals. The errors introduced by these functionals are not consistent across all types of solid-state materials. In this project, a high throughput framework was utilized to compare the theoretical DFT predictions with the experimental results available in the Inorganic Crystal …


Development Of Computational Methods For Electronic Structural Characterization Of Strongly Correlated Materials: From Different Ab-Initio Perspectives, Uthpala K. Herath 2022 West Virginia University

Development Of Computational Methods For Electronic Structural Characterization Of Strongly Correlated Materials: From Different Ab-Initio Perspectives, Uthpala K. Herath

Graduate Theses, Dissertations, and Problem Reports

The electronic correlations in materials drive a variety of fascinating phenomena from magnetism to metal-to-insulator transitions (MIT), which are due to the coupling between electron spin, charge, ionic displacements, and orbital ordering. Although Density Functional Theory (DFT) successfully describes the electronic structure of weakly interacting material systems, being a static mean-field approach, it fails to predict the properties of Strongly Correlated Materials (SCM) that include transition and rare earth metals where there is a prominent electron localization as in the case of d and f orbitals due to the nature of their spatial confinement.

Dynamical Mean Field Theory (DMFT) is …


Hot-Carrier Dynamics And Transport Mechanisms In Inas/Alassb Multiple Quantum Wells, Herath Pathiranage Janaka Chathuranga Piyathilaka 2022 West Virginia University

Hot-Carrier Dynamics And Transport Mechanisms In Inas/Alassb Multiple Quantum Wells, Herath Pathiranage Janaka Chathuranga Piyathilaka

Graduate Theses, Dissertations, and Problem Reports

Semiconductor photovoltaics convert light into electricity through the extraction of photo-excited charge carriers. Among the most important parameters for a photovoltaic cell are good optical absorption in the desired region of the electromagnetic spectrum, and sufficient excited-state lifetimes and mobilities of the photocarriers to allow for charge separation and extraction before recombination. For solar cell applications there are significant challenges to overcome to improve the efficiency of the light-to-electricity conversion. The cells are most commonly made of silicon, which has a nearly perfect bandgap for absorbing the most solar radiation, an indirect bandgap to give a long photocarrier lifetime and …


Attempts To Measure Nanosecond Resolved Electronic Dynamics Of Charge Density Wave Phase Transition In 1t-Tas2, Ben Campbell 2022 University of New Hampshire - Main Campus

Attempts To Measure Nanosecond Resolved Electronic Dynamics Of Charge Density Wave Phase Transition In 1t-Tas2, Ben Campbell

Honors Theses and Capstones

Scanning tunneling microscopes allow for atomic spatial resolution but the resulting images are necessarily time-averaged and fast dynamics are lost. Pump-probe spectroscopy is a common optical technique used to measure ultrafast electronic dynamics but the integration of optical pump-probe spectroscopy into an STM requires specialized knowledge and equipment. Alternatively, an all-electronic pump-probe spectroscopy technique has recently been developed for use with an STM that replaces the laser pulses of optical pump-probe with voltage pulses. In this paper, I implemented an all-electronic pump-probe scheme into an existing scanning tunneling microscope using an arbitrary waveform generator and a lock-in amplifier. I developed …


Toward Novel Optical Functionalities Through Intelligent Photonic Structure Design, Robert J. Williamson 2022 Georgia Southern University

Toward Novel Optical Functionalities Through Intelligent Photonic Structure Design, Robert J. Williamson

Electronic Theses and Dissertations

Photonic Metamaterials is a branch of electromagnetism that has been of great interest in recent years. This is further enhanced by the introduction of micro- and nanofabrication methods capable of producing metamaterial structures with which it is possible to create specific optical phenomena. The study of iso-frequency k-surfaces is of importance when discussing optical interactions with media. Previous research found evidence of materials exhibiting k-surfaces of bi-hyperbolic nature, though they failed to find any further hyperboloid dispersions. In this thesis we describe the k-surface topologies and including tri- and tetra-hyperbolic as well as analyze the polariton-interactions that cause these hyperbolic …


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 2021 Post Graduate Student, Faculty of Science, Damanhour University, Eygpt

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 Mn0.5Ni0.5Fe2-xPrxO4, 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 650oC 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 2021 University of Nebraska-Lincoln

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

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

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 2021 Ferghana Polytechnic Institute

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 Cun (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 …


Gaas Growth On Sapphire Substrates (C And R Plane) For Integrated Microwave Photonics (Imwp), Samir Kumar Saha 2021 University of Arkansas, Fayetteville

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 …


Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa 2021 University of Arkansas, Fayetteville

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 …


Computational Study Of Grain Structure Evolution In Cdte/Cds Via Molecular Dynamics, Sharmin Abdullah 2021 University of Texas at El Paso

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 …


Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi 2021 University of Arkansas, Fayetteville

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 …


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 2021 University of Nebraska–Lincoln

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 …


Ab-Initio And Empirical Simulations Of Aluminum And Copper Metal, William Wolfs 2021 University of Nevada, Las Vegas

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 …


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 2021 Boise State University

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 …


Accelerating Dynamical Density Response Code On Summit And Its Application For Computing The Density Response Function Of Vanadium Sesquioxide, Wileam Y. Phan 2021 University of Tennessee, Knoxville

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 …


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