Atomic, Molecular and Optical Physics Commons^™

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 …

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 …

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 …

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.

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 …

Focused Electron-Beam-Induced Deposition For Fabrication Of Highly Durable And Sensitive Metallic Afm-Ir Probes, Wen Qian, Shuo Sun, Jingfeng Song, Charles Nguyen, Stephen Ducharme, Joesph A. Turner

Stephen Ducharme Publications

We report on the fabrication of metallic, ultra-sharp atomic force microscope tips for localized nanoscale infrared (IR) spectrum measurements by using focused electron-beam-induced deposition of platinum or tungsten. The tip length can be controlled by changing the duration time of the electron beam. Probes of 12.0 ± 5.0 nm radius-of-curvature can be routinely produced with high repeatability and near-100% yield. The near-field-enhancement appears stronger at the extremity of the metallic tip, compared with commercial pristine silicon-nitride probe tip. Finally, the performance of the modified metallic tips is demonstrated by imaging PVDF and PMMA thin films, which shows that spatial resolution …

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. …

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 …

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 …

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 …

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. …

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 …

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 …

Magnetocrystalline Anisotropy Of "-Fe2o3, Imran Ahamed, Rohilt Pathak, Arti Kashyap

Nebraska Center for Materials and Nanoscience: Faculty Publications

The epsilon Fe₂O₃ phase of iron oxide has been studied to understand the spin structure and the magnetocrystalline anisotropy in the bulk and in thin films of "-Fe₂O₃ and Co-doped "-Fe₂O₃. The preferential magnetization direction in the nanoparticles of "-Fe₂O₃ is along the a-axis [M. Gich et al., Chem. Mater. 18, 3889 (2006)]. Compared to the bulk band gap of 1.9 eV, the thin-film band gap is reduced to 1.3 eV in the Co-free films and to 0.7 eV in the film with partial …

Texture Development And Coercivity Enhancement In Cast Alnico 9 Magnets, Wenyong Zhang, Shah Valloppilly, Xingzhong Li, Lanping Yue, Ralph Skomski, Iver Anderson, Matthew Kramer, Wei Tang, Jeff Shield, David J. Sellmyer

Nebraska Center for Materials and Nanoscience: Faculty Publications

The effect of Y addition and magnetic field on texture and magnetic properties of arc-melted alnico 9 magnets has been investigated. Small additions of Y (1.5 wt.%) develop a (200) texture for the arc-melted alnico 9 magnet. Such a texture is hard to form in cast samples. To achieve this goal, we set up a high-field annealing system with a maximum operation temperature of 1250⁰ C. This system enabled annealing in a field of 45 kOe with subsequent draw annealing for the solutionized buttons; we have been able to substantially increase remanence ratio and coercivity, from 0.70 and 1200 …

Photoelectron Angular Distributions From Rotationally Resolved Autoionizing States Of N2, Alexander M. Chartrand, Elizabeth F. Mccormack, Ugo Jacovella, David M P Holland, Berenger Gans, Xiaofeng Tang, Gustavo A. García, Laurent Nahon, Stephen T. Pratt

Physics Faculty Research and Scholarship

The single-photon, photoelectron-photoion coincidence spectrum of N₂ has been recorded at high (~1.5 cm^–1 ) resolution in the region between the N₂⁺ X ²Σ_g⁺, v⁺ = 0 and 1 ionization thresholds by using a double-imaging spectrometer and intense vacuum-ultraviolet light from the Synchrotron SOLEIL. This approach provides the relative photoionization cross section, the photoelectron energy distribution, and the photoelectron angular distribution as a function of photon energy. The region of interest contains autoionizing valence states, vibrationally autoionizing Rydberg states converging to vibrationally excited levels of the N₂⁺ X ^{2 …}

Structural And Elastic Properties Of Degenerate Sno Monolayers At Finite Temperature, Afsana Sharmin

Graduate Theses and Dissertations

Chalcogen-based layered superconductors with a litharge structure such as FeS and FeSe mono-layers undergo structural and superconducting phase transitions that are tunable by doping. Representing another material platform with a litharge structure but without valence d-electrons, SnO monolayers also display a structural ground state with a degenerate rectangular unit cell at zero temperature and a charge-tunable energy barrier that leads to a thermally-controllable structural phase change. Doped SnO monolayers with rectangular degenerate unit cells give rise to two-dimensional multiferroicity. Their two-dimensional elastic energy landscape adopts a basic analytic expression that is employed to discuss this structural transition. The results contained …

Angle-Resolved Observation Of X-Ray Second Harmonic Generation In Diamond, Björn Senfftleben

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

This thesis reports angularly-resolved observation of X-ray second harmonic generation (XSHG) in diamond at several phase-matching geometries. The XSHG signal was produced by ultra-short, highly intense X-ray pulses with a photon energy of 9.831 keV generated by a free-electron laser. In some geometries for high pulse energies more than 10 second harmonic photons per pulse were generated.

Different phase-matched geometries were used for XSHG to investigate the angular dependence of the efficiency of the process. Furthermore, for each phase-matching condition, the quadratic dependence for second harmonic generation at each geometry was verified and the crystal rocking curves were measured. The …