Physics Commons^™

Questaal: A Package Of Electronic Structure Methods Based On The Linear Muffin-Tin Orbital Technique, Dimitar Pashov, Swagata Acharya, Walter R.L. Lambrecht, Jerome Jackson, Kirill Belashchenko, Athanasios Chantis, Francois Jamet, Mark Van Schilfgaarde

Kirill Belashchenko Publications

This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin orbital (LMTO) method is revisited in detail and developed further by the introduction of short-ranged tight-binding basis functions for full-potential calculations. The LMTO method is presented in both Green's function and wave function formulations for bulk and layered systems. The suite's full-potential LMTO code uses a sophisticated basis and augmentation method that allows an efficient and precise solution to the band problem at different levels of theory, …

The Breakup Of A Helium Cluster After Removing Attractive Interaction Among A Significant Number Of Atoms In The Cluster, Tao Pang

Physics & Astronomy Faculty Research

The breakup of a quantum liquid droplet is examined through a 4He cluster by removing the attractive tail in the interaction between some of the atoms in the system with the diffusion quantum Monte Carlo simulation. The ground-state energy, kinetic energy, cluster size, and density profile of the cluster are evaluated against the percentage of the atoms without the attractive tail. The condition for the cluster to lose its ability to form a quantum liquid droplet at zero temperature is found and analyzed. The cluster is no longer able to form a quantum liquid droplet when about two-thirds of pairs …

Experimental Determination Of The (0/−) Level For Mg Acceptors In Β-Ga2O3 Crystals, Christopher A. Lenyk, Trevor A . Gustafson, Sergey A. Basun, Larry E. Halliburton, Nancy C. Giles

Faculty Publications

Electron paramagnetic resonance (EPR) is used to experimentally determine the (0/−) level of the Mg acceptor in an Mg-doped β-Ga₂O₃ crystal. Our results place this level 0.65 eV (±0.05 eV) above the valence band, a position closer to the valence band than the predictions of several recent computational studies. The crystal used in this investigation was grown by the Czochralski method and contains large concentrations of Mg acceptors and Ir donors, as well as a small concentration of Fe ions and an even smaller concentration of Cr ions. Below room temperature, illumination with 325 nm laser light …

Time Dependence Of Few-Body Forster Interactions Among Ultracold Rydberg Atoms, Zhimin Cheryl Liu, Nina P. Inman, Thomas J. Carroll, Michael W. Noel

Physics and Astronomy Faculty Publications

Rubidium Rydberg atoms in either |m_j| sublevel of the 36p_3/2 state can exchange energy via Stark-tuned Förster resonances, including two-, three-, and four-body dipole-dipole interactions. Three-body interactions of this type were first reported and categorized by Faoro et al. [Nat. Commun. 6, 8173 (2015)] and their Borromean nature was confirmed by Tretyakov et al. [Phys. Rev. Lett. 119, 173402 (2017)]. We report the time dependence of the N-body Förster resonance N×36p_3/2,|mj|=1/2→36s_1/2+37s_1/2+(N−2)×36p_3/2,|mj|=3/2, for N=2, 3, …

Perturbed Field Ionization For Improved State Selectivity, Vincent C. Gregoric, Jason Bennett, Bianca R. Gualtieri, Hannah P. Hastings, Ankitha Kannad, Zhimin Cheryl Liu, Maia R. Rabinowitz, Zoe A. Rowley, Maio Wang, Lauren Yoast, Thomas J. Carroll, Michael W. Noel

Physics and Astronomy Faculty Publications

Selective field ionization (SFI) is used to determine the state or distribution of states to which a Rydberg atom is excited. By evolving a small perturbation to the ramped electric field using a genetic algorithm, the shape of the time-resolved ionization signal can be controlled. This allows for the separation of signals from pairs of states that would be indistinguishable with unperturbed SFI. Measurements and calculations are presented that demonstrate this technique and shed light on how the perturbation directs the pathway of the electron to ionization. Pseudocode for the genetic algorithm is provided. Using the improved resolution afforded by …

The Emergence Of The Local Moment Molecular Spin Transistor, Guanhua Hao, Ruihua Cheng, Peter Dowben

Peter Dowben Publications

Local moment molecular systems have now been used as the conduction channel in gated spintronics devices, and some of these three terminal devices might even be considered molecular spin transistors. In these systems, the gate voltage can be used to tune the molecular level alignment, while applied magnetic fields have an influence on the spin state, altering the magnetic properties, and providing insights to the magnetic anisotropy. More recently, the use of molecular spin crossover complexes, as the conduction channel, has led to devices that are both nonvolatile and have functionality at higher temperatures. Indeed, some devices have now been …

Characterization Of A Trochoidal Electron Monochromator, Jesse Kruse

Honors Theses

This thesis presents a quantitative study of a trochoidal electron monochromator and attempts to observe the 2p^53p^2 resonance in neon. A detailed description of the experimental apparatus, including the electron beam system, the vacuum system, and the light analysis system, is presented first. Then, we discuss the theory of how the electron beam is monochromatized, how we measured monochomatization, and how we analyze the light being emitted from the collision cell. The light analysis system is capable of accurately measuring the relative Stokes parameters for any polarization of light, and the electron beam system is capable of producing electron beams …

Liquid-Phase Mega-Electron-Volt Ultrafast Electron Diffraction, J. P.F. Nunes, K. Ledbetter, M. Lin, M. Kozina, D. P. Deponte, E. Biasin, Martin Centurion, C. J. Crissman, M. Dunning, S. Guillet, K. Jobe, Y. Liu, M. Mo, X. Shen, R. Sublett, S. Weathersby, C. Yoneda, T. J. A. Wolf, Jie Yang, A. A. Cordones, Xijie Wang

Martin Centurion Publications

The conversion of light into usable chemical and mechanical energy is pivotal to several biological and chemical processes, many of which occur in solution. To understand the structure-function relationships mediating these processes, a technique with high spatial and temporal resolutions is required. Here, we report on the design and commissioning of a liquid-phase mega-electron-volt (MeV) ultrafast electron diffraction instrument for the study of structural dynamics in solution. Limitations posed by the shallow penetration depth of electrons and the resulting information loss due to multiple scattering and the technical challenge of delivering liquids to vacuum were overcome through the use of …

Probing Ferroelectricity By X-Ray Absorption Spectroscopy In Molecular Crystals, Fujie Tang, Xuanyuan Jiang, Hsin Yu Ko, Jianhang Xu, Mehmet Topsakal, Guanhua Hao, Alpha T. N'Diaye, Peter Dowben, Deyu Lu, Xiaoshan Xu, Xifan Wu

Peter Dowben Publications

We carry out X-ray absorption spectroscopy experiment at the oxygen K edge in croconic acid (C₅H₂O₅) crystal as a prototype of ferroelectric organic molecular solid, whose electric polarization is generated by proton transfer. The experimental spectrum is well reproduced by the electron-hole excitation theory simulations from configuration generated by ab initio molecular dynamics simulation. When inversion symmetry is broken in the ferroelectric state, the hydrogen bonding environment on the two bonded molecules become inequivalent. Such a difference is sensitively probed by the bound excitation in the pre-edge, which is strongly localized on the excited …

Near-Infrared-Sensitive Photorefractive Sn2P2S6 Crystals Grown By The Bridgman Method, O. M. Shumelyuk, A. Y. Volkov, Y. Skrypka, Larry E. Halliburton, Nancy C. Giles, Christopher A. Lenyk, Sergey A. Basun, A. A. Grabar, Y. M. Vysochansky, S. G. Odoulov, D. R. Evans

Faculty Publications

Ferroelectric tin hypothiodiphosphate (Sn₂P₂S₆) crystals are well-known for their significant piezoelectric, electro-optic, and nonlinear optical properties. These crystals have usually been grown by a vapor transport technique. We report in this paper on the first study of photorefractive nonlinearity in Sn₂P₂S₆ crystals grown by the Bridgman method. Pronounced photorefraction is observed in the near-infrared region of the spectrum even with no preliminary optical sensitizing.

Effects Of Intrinsic Defects And Alloying With Fe On The Half-Metallicity Of Co2Mnsi, G. G. Baez Flores, Ivan A. Zhuravlev, Kirill Belashchenko

Kirill Belashchenko Publications

The electronic structure and half-metallic gap of Co2MnSi in the presence of crystallographic defects, partial Fe substitution for Mn, and thermal spin fluctuations are studied using the coherent potential approximation and the disordered local moment method. In the presence of 5% Co or Mn vacancies the Fermi level shifts down to the minority-spin valence-band maximum. In contrast to NiMnSb, both types of Mn antisite defects in Co2MnSi are strongly exchange coupled to the host magnetization, and thermal spin fluctuations do not strongly affect the half-metallic gap. Partial substitution of Mn by Fe results in considerable changes in the Bloch spectral …

Quantum Control With Spinor Bose-Einstein Condensates, Hilary M. Hurst

Faculty Research, Scholarly, and Creative Activity

Understanding and controlling many-body quantum systems in noisy environments is paramount to developing robust quantum technologies. An external environment can be thought of as a measurement reservoir which extracts information about the quantum system. Cold atoms are well suited to examine system-environment interaction via weak (i.e. minimally destructive) measurement techniques, wherein the measurement probe acts as the environment and also provides a noisy record of system dynamics. The measurement record can then be used in a feedback scheme, opening the door to real time control of quantum gases. In this talk I discuss our theoretical proposal to use weak measurement …

A Computationally-Efficient Bound For The Variance Of Measuring The Orientation Of Single Molecules, Tingting Wu, Tianben Ding, Hesam Mazidi, Oumeng Zhang, Matthew D. Lew

Electrical & Systems Engineering Publications and Presentations

Modulating the polarization of excitation light, resolving the polarization of emitted fluorescence, and point spread function (PSF) engineering have been widely leveraged for measuring the orientation of single molecules. Typically, the performance of these techniques is optimized and quantified using the Cramér-Rao bound (CRB), which describes the best possible measurement variance of an unbiased estimator. However, CRB is a local measure and requires exhaustive sampling across the measurement space to fully characterize measurement precision. We develop a global variance upper bound (VUB) for fast quantification and comparison of orientation measurement techniques. Our VUB tightly bounds the diagonal elements of the …

Overview Of Trends In Indian Optics Research (2008 – 2018), Mallikarjun Kappi, Biradar B S

Library Philosophy and Practice (e-journal)

The present study deals with the assessment of Indian optics research output as reflected in Web of Science (WOS) database for the period 2008 to 2018 for identifying the research output in the field of optics literature. It also provides a comparative evaluation and performance of different types of scientometric indicators, such as number of publications, number of citations and collaboration from India. The Indian optics research has increased exponentially over the last decade.

Radiation-Induced Electron And Hole Traps In Ge1-XSnX (X = 0-0.094), Michael R. Hogsed, Kevin Choe, Norman Miguel, Buguo Wang, John Kouvetakis

Faculty Publications

The band structure of germanium changes significantly when alloyed with a few percent concentrations of tin, and while much work has been done to characterize and exploit these changes, the corresponding deep-level defect characteristics are largely unknown. In this paper, we investigate the dominant deep-level defects created by 2 MeV proton irradiation in Ge1 -xSnx (x = 0.0, 0.020, 0.053, 0.069, and 0.094) diodes and determine how the ionization energies of these defects change with tin concentrations. Deep-level transient spectroscopy measurements approximate the ionization energies associated with electron transitions to/from the valence band (hole traps) and conduction band (electron traps) …

Itinerant Ferromagnetism And Intrinsic Anomalous Hall Effect In Amorphous Iron-Germanium, D. S. Bouma, Z. Chen, B. Zhang, F. Bruni, M. E. Flatté, A. Ceballos, R. Streubel, L. W. Wang, R. Q. Wu, F. Hellman

Robert Streubel Papers

The amorphous iron-germanium system (a-Fe_xGe_1-x) lacks long-range structural order and hence lacks a meaningful Brillouin zone. The magnetization of a-Fe_xGe_1-x is well explained by the Stoner model for Fe concentrations x above the onset of magnetic order around x=0.4, indicating that the local order of the amorphous structure preserves the spin-split density of states of the Fe-3d states sufficiently to polarize the electronic structure despite k being a bad quantum number. Measurements reveal an enhanced anomalous Hall resistivity ρ_xy^AH relative to crystalline FeGe; this ρ_xy^AH is compared to density-functional …

Characterizing Complexity In A Semiconductor With Optical Feedback From Two Mirrors, Layla M. Abrams

2020 Symposium Posters

Lasers are stable devices with a broad spectrum of applications. They can be perturbed to induce complex dynamics in their output intensity. One interesting regime in semiconductor lasers is that the output intensity of the laser emits a sequence of non-regular optical spikes. This behavior resembles that of neurons. We use a semiconductor laser with optical feedback from two mirrors to characterize the behavior of the laser's power output. The data is then analyzed by transforming the intensity time series into a sequence of patterns or words. By doing this we want to explore how the laser changes its preferred …

Chiral Magnetism And High-Temperature Skyrmions In B20-Ordered Co-Si, Balamurugan Balasubramanian, Priyanka Manchanda, Rabindra Pahari, Zhen Chen, Wenyong Zhang, Shah R. Valloppilly, Xingzhong Li, Anandakumar Sarella, Lanping Yue, Ahsan Ullah, Pratibha Dev, David A. Muller, Ralph Skomski, George C. Hadjipanayis, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Magnets with chiral crystal structures and helical spin structures have recently attracted much attention as potential spin-electronics materials, but their relatively low magnetic-ordering temperatures are a disadvantage. While cobalt has long been recognized as an element that promotes high-temperature magnetic ordering, most Co-rich alloys are achiral and exhibit collinear rather than helimagnetic order. Crystallographically, the B20-ordered compound CoSi is an exception due to its chiral structure, but it does not exhibit any kind of magnetic order. Here, we use nonequilibrium processing to produce B20-ordered Co_1+xSi_1−x with a maximum Co solubility of x = 0.043. Above a critical …

Svat4: A Computer Program For Visualization And Analysis Of Crystal Structures, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

SVAT4 is a computer program for interactive visualization of three-dimensional crystal structures, including chemical bonds and magnetic moments. A wide range of functions, e.g. revealing atomic layers and polyhedral clusters, are available for further structural analysis. Atomic sizes, colors, appearance, view directions and view modes (orthographic or perspective views) are adjustable. Customized work for the visualization and analysis can be saved and then reloaded. SVAT4 provides a template to simplify the process of preparation of a new data file. SVAT4 can generate high-quality images for publication and animations for presentations. The usability of SVAT4 is broadened by a software suite …

Acoustics To Quantum Materials: A Centennial History Of The Department Of Physics, University Of Arkansas, Rajendra Gupta, Paul C. Sharrah

Physics Faculty Publications and Presentations

The department of physics at the University of Arkansas was established in the 1907-08 academic year, although physics was taught from the very start of the University in 1872. The department celebrated its centennial in 2007-2008. Acoustics to Quantum Materials is a centennial history of the department covering the period 1907-08 to 2007-08. While the emphasis is on this period, instruction of physics over the period 1872-1907 is covered in two prologues, and the period 2009-18 is briefly covered in an epilogue. The first research laboratory to be established was in the area of acoustics. Subsequently, the department’s faculty have …

Measurement Of Single-Diffractive Dijet Production In Proton–Proton Collisions At √S = 8 Tev With The Cms And Totem Experiments, Cms Collaboration, Ekaterina Avdeeva, Kenneth A. Bloom, Daniel Claes, Caleb Fangmeier, Frank Golf, Rebeca Gonzalez Suarez, Rami Kamalieddin, Ilya Kravchenko Dr., Jose Monroy, J. Siado, Gregory Snow, B. Stieger

Kenneth Bloom Publications

Measurements are presented of the single-diffractive dijet cross section and the diffractive cross section as a function of the proton fractional momentum loss ξ and the four-momentum transfer squared t. Both processes pp → pX and pp → Xp, i.e. with the proton scattering to either side of the interaction point, are measured, where X includes at least two jets; the results of the two processes are averaged. The analyses are based on data collected simultaneously with the CMS and TOTEM detectors at the LHC in proton–proton collisions at √s = 8 TeV during a dedicated run with …

Spectroscopic Study On Pseudomonas Aeruginosa Biofilm In The Presence Of The Aptamer-Dna Scaffolded Silver Nanoclusters, Bidisha Sengupta, Prakash Adhikari, Esther Mallet, Ronald Havner, Prabhakar Pradhan

Faculty Publications

We report the effectiveness of silver nanocluster (Ag-NC) against the biofilm of Pseudomonas aeruginosa (PA). Two DNA aptamers specific for PA and part of their sequences were chosen as templates for growing the Ag-NC. While circular dichroism (CD) studies determined the presence of secondary structures, UV/Vis absorption, and fluorescence spectroscopic studies confirmed the formation of the fluorescent Ag-NC on the DNA templates. Furthermore, mesoscopic physics-based partial wave spectroscopy (PWS) was used to analyze the backscattered light signal that can detect the degree of nanoscale mass density/refractive index fluctuations to identify the biofilm formation, comparatively among the different aptamers with respect …

Attosecond Electron Bunch Measurement With Coherent Nonlinear Thomson Scattering, Colton Fruhling, Gregory V. Golovin, Donald Umstadter

Donald Umstadter Publications

We present a novel method for measurement of ultrashort electron-bunch duration, in principle, as short as zeptosecond (10⁻²¹ s). The method employs nonlinear Thomson scattering of relativistically intense laser light, and takes advantage of the nonlinear dependence and coherence of scattered light on electron bunch length. We validate the method and test its range of applicability via simulations by using realistic (nonideal) electron beams. Due to the wide flexibility in choice of interaction geometry and scattering laser pulse properties enabled by the method, it is shown to be applicable over a wide range of electron beam parameters, including energy, …

Stacked Volume Holographic Gratings For Extending The Operational Wavelength Range In Led And Solar Applications, Sanjay Keshri, Julia Marín-Sáez, Izabela Naydenova, Kevin Murphy, Jesús Atencia, Daniel Chemisana, Sean Garner, María-Victoria Collados, Suzanne Martin

Articles

A novel stacking procedure is presented for volume phase holographic gratings (VPHGs) recorded in photopolymer material using Corning Willow Glass as a flexible substrate in order to achieve broader angular and spectral selectivity in a diffractive device with high efficiency for solar and LED applications. For the first time to our knowledge, we have shown a device designed for use with a white LED that has the same input and output angles and high efficiency when illuminated by different wavelengths. In this paper, two VPHGs were designed, experimentally recorded, and tested when illuminated at normal incidence. The experimental approach is …

Rod-Shape Theranostic Nanoparticles Facilitate Antiretroviral Drug Biodistribution And Activity In Human Immunodeficiency Virus Susceptible Cells And Tissues, Bhavesh D. Kevadiya, Brendan Ottemann, Insiya Z. Mukadam, Laura Castellanos, Kristen Sikora, James R. Hilaire, Jatin Machhi, Jonathan Herskovitz, Dhruvkumar Soni, Mahmudul Hasan, Wenting Zhang, Anandakumar Sarella, Jered Garrison, Joellyn Mcmillan, Benson Edagwa, R. Lee Mosley, Richard W. Vachet, Howard E. Gendelman

Nebraska Center for Materials and Nanoscience: Faculty Publications

Human immunodeficiency virus theranostics facilitates the development of long acting (LA) antiretroviral drugs (ARVs) by defining drug-particle cell depots. Optimal drug formulations are made possible based on precise particle composition, structure, shape and size. Through the creation of rod-shaped particles of defined sizes reflective of native LA drugs, theranostic probes can be deployed to measure particle-cell and tissue biodistribution, antiretroviral activities and drug retention.

Methods: Herein, we created multimodal rilpivirine (RPV) ¹⁷⁷lutetium labeled bismuth sulfide nanorods (¹⁷⁷LuBSNRs) then evaluated their structure, morphology, configuration, chemical composition, biological responses and adverse reactions. Particle biodistribution was analyzed by single …

Diffusion Doping Of Cobalt In Rod-Shape Anatase Tio2 Nanocrystals Leads To Antiferromagnetism†, Shahzahan Mia, Shelton J.P. Varapragasam, Aravind Baride, Choumini Balasanthiran, Balamurugan Balasubramanian, Robert M. Rioux, James D. Hoefelmeyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

Cobalt(II) ions were adsorbed to the surface of rod-shape anatase TiO2 nanocrystals and subsequently heated to promote ion diffusion into the nanocrystal. After removal of any remaining surface bound cobalt, a sample consisting of strictly cobalt-doped TiO2 was obtained and characterized with powder Xray diffraction, transmission electron microscopy, UV-visible spectroscopy, fluorescence spectroscopy, X-ray photoelectron spectroscopy, SQUID magnetometry, and inductively-coupled plasma atomic emission spectroscopy. The nanocrystal morphology was unchanged in the process and no new crystal phases were detected. The concentration of cobalt in the doped samples linearly correlates with the initial loading of cobalt(II) ions on the nanocrystal surface. Thin …

Towards A Rapid Screening Of Liver Grafts At The Operating Room Using Mid-Infrared Spectroscopy, David Perezguaita, Marta Moreno Torres, Ramiro Jover, Eugenia Pareja, Bernard Lendl, Julia Kuligowsky, Guillermo Quintas

Articles

The estimation of steatosis in a liver graft is mandatory prior to liver transplantation, as the risk of graft failure increases with the level of infiltrated fat. However, the assessment of liver steatosis before transplantation is typically based on a qualitative or semiquantitative characterization by visual inspection and palpation and histological analysis. Thus, there is an unmet need for transplantation surgeons to have access to a diagnostic tool enabling an in situ fast classification of grafts prior to extraction. In this study, we have assessed an attenuated total reflection−Fourier transform infrared (ATR−FTIR) spectroscopic method compatible with the requirements of an …

Empirical Study On The Effects Of Acquisition Parameters For Ftir Hyperspectral Imaging Of Brain Tissue, David Perezguaita, Julia Sacharz, Mustafa Kasniz, Shaiju Nazeer, Bayden Wood, Philip Heraud

Articles

Fourier transform infrared (FTIR) spectroscopic imaging is a powerful technique for molecular imaging of pathologies associated with the nervous systems including multiple sclerosis research. However, there is no standard methodology or standardized protocol for FTIR imaging of tissue sections that maximize the ability to discriminate between the molecular, white and granular layers, which is essential in the investigation of the mechanism of demyelination process. Tissue sections are heterogeneous, complex and delicate, hence the parameters to generate high quality images in minimal time becomes essential in the modern clinical laboratory. This article presents an FTIR spectroscopic imaging study of post-mortem human …

Discriminant Analysis And Feature Selection In Mass Spectrometry Imaging Using Constrained Repeated Random Sampling - Cross Validation (Corrs-Cv), David Perezguaita, Julia Kuligowsky, Guillermo Quintas

Articles

No abstract provided.

Launching A New Dimension With 3d Magnetic Nanostructures, Peter Fischer, Dédalo Sanz-Hernández, Robert Streubel, Amalio Fernández-Pacheco

Robert Streubel Papers

The scientific and technological exploration of three-dimensional magnetic nanostructures is an emerging research field that opens the path to exciting novel physical phenomena, originating from the increased complexity in spin textures, topology, and frustration in three dimensions. One can also anticipate a tremendous potential for novel applications with those systems in a magnetic sensor and information processing technologies in terms of improved energy efficiency, processing speed, functionalities, and miniaturization of future spintronic devices. These three-dimensional structures are distinct from traditional bulk systems as they harness the scientific achievements of nanomagnetism, which aimed at lowering the dimensions down to the atomic …