Atomic, Molecular and Optical Physics Commons^™

The Promise Of Piezoelectric Polymers, Timothy D. Usher, Kimberley R. Cousins, Renwu Zhang, Stephen Ducharme

Stephen Ducharme Publications

Recent advances provide new opportunities in the field of polymer piezoelectric materials. Piezoelectric materials provide unique insights to the fundamental understanding of the solid state. In addition, piezoelectric materials have a wide range of applications, representing billions of dollars of commercial applications. However, inorganic piezoelectric materials have limitations that polymer ferroelectric materials can overcome, if certain challenges can be addressed. This mini-review is a practical summary of the current research and future directions in the investigation and application of piezoelectric materials with an emphasis on polymeric piezoelectric materials. We will assume that the reader is well versed in the subject …

Honeycomb Lattice Na2iro3 At High Pressures: A Robust Spin-Orbit Mott Insulator, Xiaoxiang Xi, Xiangyan Bo, X. S. Xu, P. P. Kong, Z. Liu, X. G. Hong, C. Q. Jin, G. Cao, Xiangang Wan, G. L. Carr

Xiaoshan Xu Papers

The honeycomb iridate Na₂IrO₃ has received much attention as a candidate to realize a quantum spin liquid state, but the nature of its insulating state remains controversial. We found that the material exhibits structural transitions at 3 and 10 GPa. The former is accompanied by 166-meV suppression of the activation gap, but the energies for the low-lying interband transitions change by less than 10 meV. This can be reconciled in a picture in which the application of high pressure barely shifts the electronic bands, but rather merely broadens them. First-principles calculations uncover a strong correlation between the …

Tuning The Neel Temperature Of Hexagonal Ferrites By Structural Distortion, Kishan Sinha, Haohan Wang, Xiao Wang, Liying Zhou, Yuewei Yin, Wenbin Wang, Xuemei Cheng, David J. Keavney, Huibo Cao, Yaohua Liu, Xifan Wu, Xiaoshan Xu

Xiaoshan Xu Papers

To tune the magnetic properties of hexagonal ferrites, a family of magnetoelectric multiferroic materials, by atomic-scale structural engineering, we studied the effect of structural distortion on the magnetic ordering temperature (T_N) in these materials. Using the symmetry analysis, we show that unlike most antiferromagnetic rare-earth transition-metal perovskites, a larger structural distortion leads to a higher T_N in hexagonal ferrites and manganites, because the K₃ structural distortion induces the three-dimensional magnetic ordering, which is forbidden in the undistorted structure by symmetry. We also revealed a nearlinear relation between T_N and the tolerance factor and a …

Kinetic Effects In 2d And 3d Quantum Dots: Comparison Between High And Low Electron Correlation Regimes, Marlina Slamet, Viraht Sahni

Chemistry & Physics Faculty Publications

Kinetic related ground state properties of a two-electron 2D quantum dot in a magnetic field and a 3D quantum dot (Hooke’s atom) are compared in the Wigner high (HEC) and low (LEC) electron correlation regimes. The HEC regime corresponds to low densities sufficient for the creation of a Wigner molecule. The LEC regime densities are similar to those of natural atoms and molecules. The results are determined employing exact closed-form analytical solutions of the Schrödinger-Pauli and Schrödinger equations, respectively. The properties studied are the local and nonlocal quantal sources of the density and the single particle density matrix; the kinetic …

Spin-Polarized Electron Transmission Through Chiral Halocamphor Molecules, J. M. Dreiling, F. W. Lewis, Timothy J. Gay

Timothy J. Gay Publications

We have measured electron-circularly-dichroic asymmetries when longitudinally-polarized (chiral) electrons are scattered quasi-elastically by chiral halocamphor molecules: 3-bromocamphor (C₁₀H₁₅BrO), 3-iodocamphor (C₁₀H₁₅IO), and 10-iodocamphor. The proposed dynamic origins of these asymmetries are considered in terms of three classical models related to Mott scattering, target electron helicity density, and spin-other-orbit interactions. The asymmetries observed for 3-bromocamphor and 3-iodocamphor scale roughly as Z², where Z is the nuclear charge of the heaviest atom in the target molecule, but the scaling is violated by 10- iodocamphor, which has a smaller asymmetry than that for 3-iodocamphor. …

Towards A Strong Spin–Orbit Coupling Magnetoelectric Transistor, Peter Dowben, Christian Binek, Kai Zhang, Lu Wang, Wai-Ning Mei, Jonathan P. Bird, Uttam Singisetti, Xia Hong, Kang L. Wang, Dmitri Nikonov

Peter Dowben Publications

Here, we outline magnetoelectric (ME) device concepts based on the voltage control of the interface magnetism of an ME antiferromagnet gate dielectric formed on a very thin semiconductor channel with large spin–orbit coupling (SOC). The emphasis of the ME spin field-effect transistors (ME spin FET) is on an antiferromagnet spin–orbit read logic device and a ME spin-FET multiplexer. Both spin-FET schemes exploit the strong SOC in the semiconducting channel materials but remain dependent on the voltage-induced switching of an ME, so that the switching time is limited only by the switching dynamics of the ME. The induced exchange field spin …

Xuv-Assisted High-Order-Harmonic-Generation Spectroscopy, T. S. Sarantseva, M. V. Frolov, N. L. Manakov, A. A. Silaev, N. V. Vvedenskii, Anthony F. Starace

Anthony F. Starace Publications

Using the analytic time-dependent effective range theory, we study two-color high-order harmonic generation (HHG) involving a weak extreme ultraviolet (XUV) pulse and an intense infrared laser field. Our analysis shows that XUV-assisted HHG spectra contain multiple additional plateau structures originating from absorption of one or more XUV photons at the photorecombination step of HHG. We show also that the HHG rate corresponding to the nth plateau can be presented in a factorized form involving the XUV-assisted (multiphoton) photorecombination cross section (PRCS) corresponding to absorption of n XUV photons of energy Ω and emission of a harmonic of energy Ω_{h …}

Master Integrals For Double Real Radiation Emission In Heavy-To-Light Quark Decay, Roberto Bonciani, Alessandro Broggio, Leandro Cieri, Andrea Ferroglia

Publications and Research

We evaluate analytically the master integrals for double real radiation emission in the b → uW* decay, where b and u are a massive and massless quark, respectively, while W* is an off-shell charged weak boson. Since the W boson can subsequently decay in a lepton anti-neutrino pair, the results of the present paper constitute a further step toward a fully analytic computation of differential distributions for the semileptonic decay of a b quark at NNLO in QCD. The latter partonic process plays a crucial role in the study of inclusive semileptonic charmless decays of B mesons. Our …

Indications Of Magnetic Coupling Effects In Spin Cross-Over Molecular Thin Films, Xin Zhang, Alpha T. N'Diaye, Xuanyuan Jiang, Xiaozhe Zhang, Yuewei Yin, Xuegang Chen, Xia Hong, Xiaoshan Xu, Peter Dowben

Xia Hong Publications

Room temperature isothermal reversible spin crossover switching of [Fe(H₂B(pz)₂)₂(bipy)] thin films is demonstrated. The magnetic oxide substrate locks the [Fe{H₂B(pz)₂}₂(bipy)] largely in a low spin state. With an X-ray fluence, excitation to a high spin state occurs, while relaxation back to low spin state is aided by alternating the substrate magnetization.

Includes supplementary materials.

Sub-Wavelength Gratings For Long Wavelength Sensing, Brian Hogan

Theses

This Ph.D. thesis is concerned with the design and use of guided mode resonance (GMR) reflectors for applications in optical absorption sensing at wavelengths around 10 μm. These grating based reflectors comprise appropriately designed optical nanostructures which resonantly reflect a wide range of incident wavelengths. Because of the periodic modulation of the refractive index in the grating layer, the guided modes which exist in this region leak out of the waveguide and arc more appropriately termed leaky or quasi guided modes. Resonant reflection occurs when phase matching of the incident light and these leaky modes cancels any transmitted light. The …

Semiconductor Color-Center Structure And Excitation Spectra: Equation-Of-Motion Coupled-Cluster Description Of Vacancy And Transition-Metal Defect Photoluminescence, Jesse J. Lutz, Xiaofeng F. Duan, Larry W. Burggraf

Faculty Publications

Valence excitation spectra are computed for deep-center silicon-vacancy defects in 3C, 4H, and 6H silicon carbide (SiC), and comparisons are made with literature photoluminescence measurements. Optimizations of nuclear geometries surrounding the defect centers are performed within a Gaussian basis-set framework using many-body perturbation theory or density functional theory (DFT) methods, with computational expenses minimized by a QM/MM technique called SIMOMM. Vertical excitation energies are subsequently obtained by applying excitation-energy, electron-attached, and ionized equation-of-motion coupled-cluster (EOMCC) methods, where appropriate, as well as time-dependent (TD) DFT, to small models including only a few atoms adjacent to the defect center. We consider the …

Block-Copolymer Assisted Fabrication Of Anisotropic Plasmonic Nanostructures, Calbi J. Gunder

Graduate Theses/Dissertations

The anisotropic nanostructures of noble metals are of great interest for plasmonic applications due to the possibility of tuning the localized surface plasmon resonance (LSPR) across the UV-VIS-NIR without sacrificing the linewidth as well as to achieve larger local field enhancement. Here, we report a simple and promising fabrication method of anisotropic gold nanostructures film using polystyrene-b-2vinylpyridine (PS-b-P2VP) block copolymers (BCP) as a template. In this approach, PS-b-P2VP spherical micelles were first synthesized as a template followed by selective deposition of Au precursor inside P2VP core of the micelles using ethanol solution of Au salt. Subsequently, heat treatment of the …

Comparison Of Various Mean Field Formulations For Retrieving Refractive Indices Of Aerosol Particles Containing Inclusions, Kristin S. Dooley, Jessica Deyoung

Journal of the Arkansas Academy of Science

Application of effective medium approximation (EMA) methods to two-component systems are presented. Systems studied are composed of water, sulfate, soot, and dust as these are commonly encountered atmospheric aerosol components. Atmospheric models often employ EMAs to include internally mixed aerosols without the computational burden of exact theory. In the current work, several types of mixing rules (Maxwell-Garnet, Bruggeman, and coherent potential approximation) have been applied to various two-component internally mixed particles at 550 nm using volume fractions of the minor component below 0.1. As expected, results show that the formulations tested produce very similar effective refractive indices indicating that electric …

Novel Faraday Rotation Effects Observed In Ultra-Thin Iron Garnet Films, Brandon Blasiola

Dissertations, Master's Theses and Master's Reports

Recent work performed by A. Chakravarty and M. Levy showed experimentally a dramatic increase in the specific Faraday Rotation (FR) of the iron garnet Bi_0.8Lu_0.2Gd₂Fe₅O₁₂. A theoretical model, based purely on classical electrodynamics, attempting to explain this behavior was developed by colleagues in Russia that not only confirmed the asymptotic increase in the specific FR at sub-50nm film thicknesses but also suggested that the specific FR should exhibit significant fluctuations at sub-500 nm film thicknesses. The original data points were widespread with steps of 50 nm or more between data …

Analysis Of The Red And Green Optical Absorption Spectrum Of Gas Phase Ammonia, Nikolai F. Zobov, Phillip A. Coles, Roman I. Ovsyannikov, Aleksandra A. Kyuberis, Robert J. Hargreaves, Peter F. Bernath, Jonathan Tennyson, Sergei N. Yurchenko, Oleg L. Polyansky

Chemistry & Biochemistry Faculty Publications

Room temperature NH₃ absorption spectra recorded at the Kitt Peak National Solar Observatory in 1980 are analyzed. The spectra cover two regions in the visible: 15,200 - 15,700 cm^-1 and 17,950 - 18,250 cm^-1. These high overtone rotation-vibration spectra are analyzed using both combination differences and variational line lists. Two variational line lists were computed using the TROVE nuclear motion program: one is based on an ab initio potential energy surface (PES) while the other used a semi-empirical PES. Ab initio dipole moment surfaces are used in both cases. 95 energy levels with J = 1 …

Theoretical Modeling And Design Of Photonic Structures In Zeolite Nanocomposites For Gas Sensing. Part Ii: Volume Gratings, Dervil Cody, Izabela Naydenova

Articles

The suitability of holographic structures fabricated in zeolite nanoparticle-polymer composite materials for gas sensing applications has been investigated. Theoretical modelling of the sensor response (i.e. change in hologram readout due to a change in refractive index modulation or thickness as a result of gas adsorption) of different sensor designs was carried out using Raman-Nath theory and Kogelnik’s Coupled Wave Theory. The influence of a range of parameters on the sensitivity of holographically-recorded surface and volume photonic structures has been studied, namely hologram geometry, hologram thickness and spatial frequency, reconstruction wavelength, and zeolite nanoparticle refractive index. From this, the optimum fabrication …

Understanding The Nature Of Nanoscale Wetting Through All-Atom Simulations, Oliver Evans

Williams Honors College, Honors Research Projects

The spreading behavior of spherical and cylindrical water droplets between 30Å and 100Å in radius on a sapphire surface is investigated using all-atom molecular dynamics simulations for durations on the order of tens of nanoseconds. A monolayer film develops rapidly and wets the surface, while the bulk of the droplet spreads on top of the monolayer, maintaining the shape of a spherical cap. Unlike previous simulations in the literature, the bulk radius is found to increase to a maximum value and receed as the monolayer continues to expand. Simple time and droplet size dependence is observed for monolayer radius and …

Magnetism Of New Metastable Cobalt-Nitride Compounds, Balamuruga Balamurugan, Xin Zhao, Shah R. Valloppilly, Sumit Beniwal, Ralph Skomski, Anandakumar Sarella, Yunlong Jin, Xingzhong Li, Xiaoshan Xu, Huibo Cao, Haohan Wang, Axel Enders, Cai-Zhuang Wang, Kai-Ming Ho, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

The search for new magnetic materials with high magnetization and magnetocrystalline anisotropy is important for a wide range of applications including information and energy processing. There is only a limited number of naturally occurring magnetic compounds that are suitable. This situation stimulates an exploration of new phases that occur far from thermal-equilibrium conditions, but their stabilization is generally inhibited due to high positive formation energies. Here a nanocluster-deposition method has enabled the discovery of a set of new non-equilibrium Co-N intermetallic compounds. The experimental search was assisted by computational methods including adaptive-genetic-algorithm and electronic- structure calculations. Conventional wisdom is that …

Producing Smooth Flow In Atom Circuits By Stirring, Olatunde Oladehin

College of Graduate Studies: Theses & Dissertations

We studied how smooth flow can be produced by stirring an ultracold atom circuit consisting of a gaseous Bose--Einstein condensate (BEC) confined in a ``racetrack'' potential. The racetrack potential was made up of two straight parallel channels of length L connected on both ends by semicircular channels of the same width and (energy) depth as the straightaways. We used the Gross--Pitaevskii equation to simulate the behavior of the BEC in this potential when stirred by a rectangular paddle at various speeds and barrier heights. We found that smooth flow could be produced and conducted a systematic study of the flow …

Light Scattering From An Atomic Gas Under Conditions Of Quantum Degeneracy, V. M. Porozova, L. V. Gerasimov, M. D. Havey

Physics Faculty Publications

Elastic light scattering from a macroscopic atomic sample existing in the Bose-Einstein condensate phase reveals a unique physical configuration of interacting light and matter waves. However, the joint coherent dynamics of the optical excitation induced by an incident photon is influenced by the presence of incoherent scattering channels. For a sample of sufficient length the excitation transports as a polariton wave and the propagation Green's function obeys the scattering equation which we derive. The polariton dynamics could be tracked in the outgoing channel of the scattered photon as we show via numerical solution of the scattering equation for one-dimensional geometry. …

Studies Of Magnetically Induced Faraday Rotation By Polarized Helium-3 Atoms, Joshua Abney

Theses and Dissertations--Physics and Astronomy

Gyromagnetic Faraday rotation offers a new method to probe limits on properties of simple spin systems such as the possible magnetic moment of asymmetric dark matter or as a polarization monitor for polarized targets. Theoretical calculations predict the expected rotations of linearly polarized light due to the magnetization of spin-1/2 particles are close to or beyond the limit of what can currently be measured experimentally (10⁻⁹ rad). So far, this effect has not been verified. Nuclear spin polarized ³He provides an ideal test system due to its simple structure and ability to achieve high nuclear spin polarization via …