Open Access. Powered by Scholars. Published by Universities.®

Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Articles 1 - 30 of 30

Full-Text Articles in Physics

Optically-Pumped Spin-Exchange Polarized Electron Source, Munir Pirbhai Dec 2013

Optically-Pumped Spin-Exchange Polarized Electron Source, Munir Pirbhai

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

Polarized electron beams are an indispensable probe of spin-dependent phenomena in fields of atomic and molecular physics, magnetism and biophysics. While their uses have become widespread, the standard source based on negative electron affinity gallium arsenide (GaAs) remains technically complicated. This has hindered progress on many experiments involving spin-polarized electrons, especially those using target gas loads, which tend to adversely affect the performance of GaAs sources. A robust system based on an alternative way to make polarized electron beams has been devised in this study, which builds on previous work done in our lab. It involves spin-exchange collisions between free, …


Near-Infrared Surface-Enhanced Fluorescence Using Silver Nanoparticles In Solution, Michael D. Furtaw Dec 2013

Near-Infrared Surface-Enhanced Fluorescence Using Silver Nanoparticles In Solution, Michael D. Furtaw

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

Fluorescence spectroscopy is a widely used detection technology in many research and clinical assays. Further improvement to assay sensitivity may enable earlier diagnosis of disease, novel biomarker discovery, and ultimately, improved outcomes of clinical care along with reduction in costs. Near-infrared, surface-enhanced fluorescence (NIR-SEF) is a promising approach to improve assay sensitivity via simultaneous increase in signal with a reduction in background. This dissertation describes research conducted with the overall goal to determine the extent to which fluorescence in solution may be enhanced by altering specific variables involved in the formation of plasmonactive nanostructures of dye-labeled protein and silver nanoparticles …


Resonant Enhancement Of The Harmonic-Generation Spectrum Of Beryllium, Jean Marcel Ngoko Djiokap, Anthony F. Starace Nov 2013

Resonant Enhancement Of The Harmonic-Generation Spectrum Of Beryllium, Jean Marcel Ngoko Djiokap, Anthony F. Starace

Anthony F. Starace Publications

The high-order harmonic-generation (HHG) spectrum of Be is investigated in the multiphoton regime by solving the full-dimensional, two-active-electron, time-dependent Schr¨odinger equation in an intense (≈1013 W/cm2), 30-cycle laser field. As the laser frequency ωL varies from 1.7 to 1.8 eV (which is in the tunable range of a Ti:sapphire laser), the seventh harmonic becomes resonant sequentially with the transition between the ground state and two doubly excited autoionizing states, 2p4s(1P) (at ωL = 1.734 eV) and 2p5s …


Carrier-Envelope-Phase-Induced Asymmetries In Double Ionization Of Helium By An Intense Few-Cycle Xuv Pulse, Jean Marcel Ngoko Djiokap, N. L. Manakov, A. V. Meremianin, Anthony F. Starace Nov 2013

Carrier-Envelope-Phase-Induced Asymmetries In Double Ionization Of Helium By An Intense Few-Cycle Xuv Pulse, Jean Marcel Ngoko Djiokap, N. L. Manakov, A. V. Meremianin, Anthony F. Starace

Anthony F. Starace Publications

The carrier-envelope-phase (CEP) dependence of electron angular distributions in double ionization of He by an arbitrarily polarized, few-cycle, intense XUV pulse is formulated using perturbation theory (PT) in the pulse amplitude. Owing to the broad pulse bandwidth, interference of first- and second-order PT amplitudes produces asymmetric angular distributions sensitive to the CEP. The PT parametrization is shown to be valid by comparing with results of solutions of the full-dimensional, two-electron time-dependent Schrödinger equation for the case of linear polarization.


Harmonic Generation Spectroscopy With A Two-Colour Laser Field Having Orthogonal Linear Polarizations, T. S. Sarantseva, M. V. Frolov, N. L. Manakov, M. Yu. Ivanov, Anthony F. Starace Nov 2013

Harmonic Generation Spectroscopy With A Two-Colour Laser Field Having Orthogonal Linear Polarizations, T. S. Sarantseva, M. V. Frolov, N. L. Manakov, M. Yu. Ivanov, Anthony F. Starace

Anthony F. Starace Publications

The interpretation of many high-order harmonic generation (HHG) experiments is based on the assumption that the HHG yield of an atom can be factorized into (i) a laser-dependent ‘electron wave packet’ with rather simple properties, including a nearly universal shape, and (ii) an atomic photorecombination cross section. We show that this factorization is restricted to linearly polarized laser fields and fails in two-colour laser fields with orthogonal polarizations. At the same time, we show how two-colour HHG spectroscopy using orthogonally polarized intense fundamental and relatively weak second harmonic fields makes a complete experiment possible that enables the retrieval of the …


Dynamics Underlying The Gaussian Distribution Of The Classical Harmonic Oscillator In Zero-Point Radiation, Wayne Cheng-Wei Huang, Herman Batelaan Oct 2013

Dynamics Underlying The Gaussian Distribution Of The Classical Harmonic Oscillator In Zero-Point Radiation, Wayne Cheng-Wei Huang, Herman Batelaan

Department of Physics and Astronomy: Faculty Publications

Stochastic electrodynamics (SED) predicts a Gaussian probability distribution for a classical harmonic oscillator in the vacuum field. This probability distribution is identical to that of the ground state quantum harmonic oscillator. Thus, the Heisenberg minimum uncertainty relation is recovered in SED. To understand the dynamics that give rise to the uncertainty relation and the Gaussian probability distribution, we perform a numerical simulation and follow the motion of the oscillator. The dynamical information obtained through the simulation provides insight to the connection between the classic double-peak probability distribution and the Gaussian probability distribution. A main objective for SED research is to …


Dynamic Electron Control Using Light And Nanostructure, Wayne Cheng-Wei Huang Aug 2013

Dynamic Electron Control Using Light And Nanostructure, Wayne Cheng-Wei Huang

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

The advent of nano-technology has made possible the manipulation of electron or light through nanostructures. For example, a nano-tip in near-field optical microscopy allows imaging beyond the diffraction limit, and a nano-fabricated hologram is used to produce electron vortex beam. While most schemes of electron control utilize only static components, dynamic electron beam control using both light and nanostructures has not yet been realized. In this dissertation, we explore this possibility and study the interplay between electron, light, and nanostructures. A understanding of such a system may facilitate dynamic electron beam control or even bring new insights to fundamental quantum …


Use Of Zwitterionic Molecules For Forming A Hole Or Electron Transport Layer, Bernard Doudin, Pierre Braunstein, Lucie Routaboul, Guillaume Dalmas, Zhengzheng Zhang, Peter Dowben Aug 2013

Use Of Zwitterionic Molecules For Forming A Hole Or Electron Transport Layer, Bernard Doudin, Pierre Braunstein, Lucie Routaboul, Guillaume Dalmas, Zhengzheng Zhang, Peter Dowben

Peter Dowben Publications

The invention relates to the use of zwitterionic molecules for forming a hole or electron transport layer. The preferred zwitterionic molecules of the invention are derivatives of p-benzoquinonemonoimines. The invention is useful in the field of electronic devices in particular.


Electron Matter Optics Of The Aharonov-Bohm And Stern-Gerlach Effects, Scot Mcgregor Jul 2013

Electron Matter Optics Of The Aharonov-Bohm And Stern-Gerlach Effects, Scot Mcgregor

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

Since the advent of quantum mechanics and the idea that massive particles exhibit wave properties, physicists have made efforts to make use of the short deBroglie wave length of matter waves for fundamental as well as practical studies. Among these are the precise measurements allowed by interference, diffraction, and microscopy as well as the study of more fundamental aspects of quantum theory such as the Aharonov-Bohm effects or the Stern-Gerlach effect, which are described below. However, in order to use matter waves to observe any of these effects it is necessary to produce and maintain coherence in the waves which …


Asymmetries In Production Of He+(N = 2) With An Intense Few-Cycle Attosecond Pulse, Jean Marcel Ngoko Djiokap, S. X. Hu, Wei-Chao Jiang, Liang-You Peng, Anthony F. Starace Jul 2013

Asymmetries In Production Of He+(N = 2) With An Intense Few-Cycle Attosecond Pulse, Jean Marcel Ngoko Djiokap, S. X. Hu, Wei-Chao Jiang, Liang-You Peng, Anthony F. Starace

Anthony F. Starace Publications

By solving the two-electron time-dependent Schrödinger equation, we study carrier-envelope-phase (CEP) effects on ionization plus excitation of He to He+(n = 2) states by a few-cycle attosecond pulse with a carrier frequency of 51 eV. For most CEPs the asymmetries in the photoelectron angular distributions with excitation of He+(2s) or He+(2p) have opposite signs and are two orders of magnitude larger than for ionization without excitation. These results indicate that attosecond pulse CEP effects may be significantly amplified in correlated two-electron ionization processes.


Strain-Mediated Elastic Coupling In Magnetoelectric Nickel/Barium-Titanate Heterostructures, Robert Streubel, Denny Köhler, Rudolf Schäfer, Lukas M. Eng Feb 2013

Strain-Mediated Elastic Coupling In Magnetoelectric Nickel/Barium-Titanate Heterostructures, Robert Streubel, Denny Köhler, Rudolf Schäfer, Lukas M. Eng

Robert Streubel Papers

Multiferroic nanomaterials bear the potential for assembling a manifold of novel and smart devices. For room temperature (RT) applications, however, only the BiFeO3 single-phase perovskites are potential candidates to date. Nevertheless, vertical heterostructures separating magnetic and ferroelectric functionality into different layers are now widely proposed to circumvent this lack in materials' availability. We show here that the second approach is very profitable as illustrated by the strain-mediated coupling between such two layers, i.e., a ferroelectric barium titanate single-crystal (BTO) and a magnetostrictive nickel (Ni) thin film. Applying an electric field across the BTO substrate forces the magnetic easy axis in …


Adherent Cells Avoid Polarization Gradients On Periodically Poled Litao3 Ferroelectrics, Christof Christophis, Elisabetta Ada Cavalcanti-Adam, Maximilian Hanke, Kenji Kitamura, Alexei Gruverman, Michael Grunze, Peter A. Dowben, Axel Rosenhahn Jan 2013

Adherent Cells Avoid Polarization Gradients On Periodically Poled Litao3 Ferroelectrics, Christof Christophis, Elisabetta Ada Cavalcanti-Adam, Maximilian Hanke, Kenji Kitamura, Alexei Gruverman, Michael Grunze, Peter A. Dowben, Axel Rosenhahn

Peter Dowben Publications

The response of fibroblast cells to periodically poled LiTaO3 ferroelectric crystals has been studied. While fibroblast cells do not show morphological differences on the two polarization directions, they show a tendency to avoid the field gradients that occur between polarization domains of the ferroelectric. The response to the field gradients is fully established after one hour, a time at which fibroblasts form their first focal contacts. If suspension cells, with a lower tendency to establish strong surface contacts are used, no influence of the field gradients is observed.


Proton Transfer In Surface-Stabilized Chiral Motifs Of Croconic Acid, Donna A. Kunkel, James Hooper, Scott Simpson, Geoffrey Rojas, Stephen Ducharme, Timothy Usher, Eva Zurek, Axel Enders Jan 2013

Proton Transfer In Surface-Stabilized Chiral Motifs Of Croconic Acid, Donna A. Kunkel, James Hooper, Scott Simpson, Geoffrey Rojas, Stephen Ducharme, Timothy Usher, Eva Zurek, Axel Enders

Stephen Ducharme Publications

The structure and cooperative proton ordering of two-dimensional sheets of croconic acid were studied with scanning tunneling microscopy and first-principles calculations. Unlike in the crystalline form, which exhibits a pleated, densely packed polar sheet structure, the confinement of the molecules to the surface results in hydrogenbonded chiral clusters and networks. First-principles calculations suggest that the surface stabilizes networks of configurational isomers, which arise from direct hydrogen transfer between their constituent croconic acid monomers. Some of these configurations have a net polarization. It is demonstrated through constrained molecular dynamics simulations that simultaneous proton transfer between any two molecules can occur spontaneously. …


Optically Pumped Spin-Exchange Polarized-Electron Source, Munir Pirbhai, J. Knepper, E. T. Litaker, D. Tupa, Timothy J. Gay Jan 2013

Optically Pumped Spin-Exchange Polarized-Electron Source, Munir Pirbhai, J. Knepper, E. T. Litaker, D. Tupa, Timothy J. Gay

Timothy J. Gay Publications

We describe the operation of a prototype polarized-electron source. Rubidium vapor, contained in a cell, is optically pumped in the presence of a buffer gas. Unpolarized electrons from a tungsten filament are injected into the cell and extracted after undergoing spin exchange with the Rb atoms. We compare the performance of the source when different buffer gases are used. We measure a decrease in electron polarization as their injection energy increases, but find an unexpected regime at higher injection energies yielding increased electron polarization accompanied by a 40-fold increase in current, suggesting the production of slow secondary electrons in the …


Room-Temperature Multiferroic Hexagonal Lufeo3 Films, Wenbin Wang, Jun Zhao, Wenbo Wang, Zheng Gai, Nina Balke, Miaofang Chi, Ho Nyung Lee, Wei Tian, Leyi Zhu, Xuemei Cheng, David J. Keavney, Jieyu Yi, Thomas Z. Ward, Paul C. Snijders, Hans M. Christen, Weida Wu, Jian Shen, Xiaoshan Xu Jan 2013

Room-Temperature Multiferroic Hexagonal Lufeo3 Films, Wenbin Wang, Jun Zhao, Wenbo Wang, Zheng Gai, Nina Balke, Miaofang Chi, Ho Nyung Lee, Wei Tian, Leyi Zhu, Xuemei Cheng, David J. Keavney, Jieyu Yi, Thomas Z. Ward, Paul C. Snijders, Hans M. Christen, Weida Wu, Jian Shen, Xiaoshan Xu

Xiaoshan Xu Papers

The crystal and magnetic structures of single-crystalline hexagonal LuFeO3 films have been studied using x-ray, electron, and neutron diffraction methods. The polar structure of these films are found to persist up to 1050 K; and the switchability of the polar behavior is observed at room temperature, indicating ferroelectricity. An antiferromagnetic order was shown to occur below 440 K, followed by a spin reorientation resulting in a weak ferromagnetic order below 130 K. This observation of coexisting multiple ferroic orders demonstrates that hexagonal LuFeO3 films are room-temperature multiferroics.


Stacking Principle And Magic Sizes Of Transition Metal Nanoclusters Based On Generalized Wulff Construction, S. F. Li, X. J. Zhao, X. S. Xu, Y. F. Gao, Zhenyu Zhang Jan 2013

Stacking Principle And Magic Sizes Of Transition Metal Nanoclusters Based On Generalized Wulff Construction, S. F. Li, X. J. Zhao, X. S. Xu, Y. F. Gao, Zhenyu Zhang

Xiaoshan Xu Papers

Nanoclusters with extra stability at certain cluster sizes are known as magic clusters with exotic properties. The classic Wulff construction principle, which stipulates that the preferred structure of a cluster should minimize its total surface energy, is often invoked in determining the cluster magicity, resulting in close-shelled Mackay icosahedronal clusters with odd-numbered magic sizes of 13, 55, 147, etc. Here we use transition metal clusters around size 55 as prototypical examples to demonstrate that, in the nanometer regime, the classic Wulff construction principle needs to be generalized to primarily emphasize the edge atom effect instead of the surface energy. Specifically, …


Adsorption Of Tcnqh-Functionalized Quinonoid Zwitterions On Gold And Graphene: Evidence For Dominant Intermolecular Interactions+, Lingmei Kong, Lucie Routaboul, Pierre Braunstein, Hong-Gi Park, Jaewu Choi, John P. Colon Cordova, E Vega, Luis G. Rosa, Bernard Doudin, Peter A. Dowben Jan 2013

Adsorption Of Tcnqh-Functionalized Quinonoid Zwitterions On Gold And Graphene: Evidence For Dominant Intermolecular Interactions+, Lingmei Kong, Lucie Routaboul, Pierre Braunstein, Hong-Gi Park, Jaewu Choi, John P. Colon Cordova, E Vega, Luis G. Rosa, Bernard Doudin, Peter A. Dowben

Peter Dowben Publications

We experimentally investigate the electronic structure of the strongly dipolar, quinonoid-type molecule obtained by TCNQH-functionalization (TCNQH = (NC)2CC6H4CH(CN)2) of (6Z)-4-(butylamino)-6-(butyliminio)- 3-oxocyclohexa-1,4-dien-1-olate C6H2(...NHR)2(...O)2 (where R = n-C4H9) to be very similar after deposition from solution on either graphene or gold substrates. These zwitterion adsorbate thin films form structures that are distinct from those formed by related quinonoid molecules previously studied. We argue that adsorbate–adsorbate interactions dominate and lead to a Stranski–Krastanov ‘island growth’ mechanism.


Search For Spin-Polarized Photoemission From Gaas Using Light With Orbital Angular Momentum, Nathan B. Clayburn, J. L. Mccarter, J. M. Dreiling, M. Poelker, D. M. Ryan, Timothy J. Gay Jan 2013

Search For Spin-Polarized Photoemission From Gaas Using Light With Orbital Angular Momentum, Nathan B. Clayburn, J. L. Mccarter, J. M. Dreiling, M. Poelker, D. M. Ryan, Timothy J. Gay

Timothy J. Gay Publications

Laser light with photon energy near the band gap of GaAs and in Laguerre-Gaussian modes with different amounts of orbital angular momentum was used to produce photoemission from unstrained GaAs. The degree of electron spin polarization was measured using a micro-Mott polarimeter and found to be consistent with zero with an upper limit of ∼3% for light with up to ±5h of orbital angular momentum. In contrast, the degree of spin polarization of 32.3 ± 1.4% using circularly polarized laser light at the as the same wavelength, which is typical for bulk GaAs photocathodes.


Threshold Alignment Reversal And Circularly Polarized Fluorescence In Rotationally Resolved H2, Jack W. Maseberg, Klaus Bartschat, Timothy J. Gay Jan 2013

Threshold Alignment Reversal And Circularly Polarized Fluorescence In Rotationally Resolved H2, Jack W. Maseberg, Klaus Bartschat, Timothy J. Gay

Timothy J. Gay Publications

Using H2 and D2 targets, we have measured the polarization of Fulcher-band fluorescence resulting from spin-polarized electron-impact excitation of vibrationally and rotationally resolved d 3Πu→ a 3g+ transitions for incident electron energies from 14.3 to 28.5 eV. Near threshold, the linear polarization P1 descends from positive values through zero to negative values, indicating a dynamic production of MN = 0 states. The circular polarization P3 is measured to be nonzero, indicating the orientation of rotationally resolved molecular states. For Q-branch transitions, P3 is consistent with theory based …


Compact Inline Optical Electron Polarimeter, Munir Pirbhai, D. M. Ryan, G. Richards, Timothy J. Gay Jan 2013

Compact Inline Optical Electron Polarimeter, Munir Pirbhai, D. M. Ryan, G. Richards, Timothy J. Gay

Timothy J. Gay Publications

A compact optical electron polarimeter using a helium target is described. It offers a maximum fluorescence detection efficiency of ∼20 Hz/nA, which is an order of magnitude higher than that of earlier designs. With an argon target, this device is expected to have a polarimetric figure-of-merit of 270 Hz/nA. By relying on a magnetic field to guide a longitudinally spin-polarized electron beam, the present instrument employs fewer electrodes. It also uses a commercially available integrated photon counting module. These features allow it to occupy a smaller volume and make it easier to operate.


Two Novel Approaches For Electron Beam Polarization From Unstrained Gaas, James L. Mccarter, Nathan B. Clayburn, J. M. Dreiling, Timothy J. Gay, Dominic M. Ryan, John Hansknecht, Matt Poelker, Andrei Afanasev, Ara Kechiantz Jan 2013

Two Novel Approaches For Electron Beam Polarization From Unstrained Gaas, James L. Mccarter, Nathan B. Clayburn, J. M. Dreiling, Timothy J. Gay, Dominic M. Ryan, John Hansknecht, Matt Poelker, Andrei Afanasev, Ara Kechiantz

Timothy J. Gay Publications

Two novel approaches to producing highly-polarized electron beams from unstrained GaAs were tested using a micro-Mott polarimeter. Based on a suggestion by Nakanishi [1]], twophoton photoemission with 1560 nm light was used with photocathodes of varying thickness: 625m, 0.32m, and 0.18m. For each of these photocathodes, the degree of spin polarization of the photoemitted beam was less than 50%. Polarization via two-photon absorption was highest from the thinnest photocathode sample and close to that obtained from one-photon absorption (using 778 nm light), with values 40.3±1.0% and 42.6±1.0%, respectively. The second attempt to produce highly-polarized electrons used one-photon emission with 778 …


Changing Molecular Band Offsets In Polymer Blends Of (P3ht/P(Vdf–Trfe)) Poly(3-Hexylthiophene) And Poly(Vinylidene Fluoride With Trifluoroethylene) Due To Ferroelectric Poling, Freddy Wong, Godohaldo Perez, Manuel Bonilla, Juan A. Colon-Santana, Xin Zhang, Pankaj Sharma, Alexei Gruverman, Peter A. Dowben, Luis G. Rosa Jan 2013

Changing Molecular Band Offsets In Polymer Blends Of (P3ht/P(Vdf–Trfe)) Poly(3-Hexylthiophene) And Poly(Vinylidene Fluoride With Trifluoroethylene) Due To Ferroelectric Poling, Freddy Wong, Godohaldo Perez, Manuel Bonilla, Juan A. Colon-Santana, Xin Zhang, Pankaj Sharma, Alexei Gruverman, Peter A. Dowben, Luis G. Rosa

Peter Dowben Publications

Photoelectron emission and inverse photoemission spectroscopy studies of polymer blends of poly(vinylidene fluoride (70%) – trifluoroethylene (30%)) P(VDF–TrFE 70 : 30) and regio-regular poly(3- hexylthiophene) (P3HT) provide evidence of changes in the molecular band offsets as a result of changes in the ferroelectric polarization in P(VDF–TrFE). Investigation of the blends with higher concentrations of the semiconducting P3HT component revealed that the organic semiconductor component of the blend dominates the electronic structure in the vicinity of the chemical potential. Specifically, the states of P3HT at the conduction band minimum and valence band maximum fall within the HOMO–LUMO gap of the dielectric …


Induced Magneto-Electric Coupling In Ferroelectric/Ferromagnetic Heterostructures, Jeffery Carvell, Ruihua Cheng, Peter A. Dowben, Q Yang Jan 2013

Induced Magneto-Electric Coupling In Ferroelectric/Ferromagnetic Heterostructures, Jeffery Carvell, Ruihua Cheng, Peter A. Dowben, Q Yang

Peter Dowben Publications

Using an external magnetic field, we have demonstrated room temperature control of the electric polarization of a ferroelectric polymer, polyvinylidene fluoride (PVDF), in an artificial multiferroic structure. For ferroelectric PVDF polymer thin films in an iron-PVDF-iron heterostructure, both the ferroelectric coercivity and polarization display a hysteresis dependence on the external magnetic field. We also find that the thickness of the PVDF layer has an effect on the magnetoelectric coupling in our samples. We observe a giant magnetoelectric coupling with values as large as 3700 V/cm Oe to 41700 V/cm Oe.


Magnetoelectric Coupling At The Euo/Batio3 Interface, Shi Cao, P Liu, Jinke Tang, Haidong Lu, C W. Bark, Sangjin Ryu, Chang-Beom Eom, Alexei Gruverman, Peter A. Dowben Jan 2013

Magnetoelectric Coupling At The Euo/Batio3 Interface, Shi Cao, P Liu, Jinke Tang, Haidong Lu, C W. Bark, Sangjin Ryu, Chang-Beom Eom, Alexei Gruverman, Peter A. Dowben

Peter Dowben Publications

Magnetization modulation by ferroelectric polarization switching is reported for the ferromagnetic-ferroelectric EuO/BaTiO3heterostructure. The value of the magnetization critical exponent β is consistent with the expected Heisenberg-like ferromagnetism of EuO and reported Curie temperature. The critical exponent is seen to decrease with increased magnetic coupling. The results are discussed in the context of data obtained earlier for epitaxial La0.67Sr0.33MnO3/BaTiO3 heterostructures, where magnetization increases and critical exponent b also declines with ferroelectric polarization pointing away from ferromagnetic layer. The observed similarity between two systems illustrates an importance of charge doping in magnetoelectric coupling, …


On The Treatment Of Lumo Energies For Their Use As Descriptors, Paul Burrow, Alberto Modelli Jan 2013

On The Treatment Of Lumo Energies For Their Use As Descriptors, Paul Burrow, Alberto Modelli

Paul Burrow Publications

Calculated energies of lowest unoccupied molecular orbitals (LUMOs) are frequently employed as descriptors in studies of quantitative structure–activity relationships and linear free energy relationships involving electron transfer. However, the quantum chemical programs with which these are carried out, whether Hartree–Fock or density functional theory, do not treat orbitals of different character, for example, C=C π* and C-Cl σ*, consistently, nor is there consistency among different families of compounds. These problems can be ameliorated with the use of the experimental equivalent of the LUMO energy, the vertical attachment energy (VAE), or by shifting and scaling LUMO energies to a training set …


Domain Wall Roughness And Creep In Nanoscale Crystalline Ferroelectric Polymers, Zhengguo Xiao, Shashi Poddar, Stephen Ducharme, X. Hong Jan 2013

Domain Wall Roughness And Creep In Nanoscale Crystalline Ferroelectric Polymers, Zhengguo Xiao, Shashi Poddar, Stephen Ducharme, X. Hong

Stephen Ducharme Publications

We report piezo-response force microscopy studies of the static and dynamic properties of domain walls (DWs) in 11 to 36 nm thick films of crystalline ferroelectric poly(vinylidene-fluoride-trifluorethylene). The DW roughness exponent ζ ranges from 0.39 to 0.48 and the DW creep exponent µ varies from 0.20 to 0.28, revealing an unexpected effective dimensionality of ~1.5 that is independent of film thickness. Our results suggest predominantly 2D ferroelectricity in the layered polymer and we attribute the fractal dimensionality to DW deroughening due to the correlations between the in-plane and out-of-plane polarization, an effect that can be exploited to achieve high lateral …


Rhodizonic Acid On Noble Metals: Surface Reactivity And Coordination Chemistry, Donna A. Kunkel, James Hooper, Scott Simpson, Sumit Beniwal, Katie L. Morrow, Douglas C. Smith, Kimberly Cousins, Stephen Ducharme, Eva Zurek, Axel Enders Jan 2013

Rhodizonic Acid On Noble Metals: Surface Reactivity And Coordination Chemistry, Donna A. Kunkel, James Hooper, Scott Simpson, Sumit Beniwal, Katie L. Morrow, Douglas C. Smith, Kimberly Cousins, Stephen Ducharme, Eva Zurek, Axel Enders

Stephen Ducharme Publications

A study of the two-dimensional crystallization of rhodizonic acid on the crystalline surfaces of gold and copper is presented. Rhodizonic acid, a cyclic oxocarbon related to the ferroelectric croconic acid and the antiferroelectric squaric acid, has not been synthesized in bulk crystalline form yet. Capitalizing on surface-assisted molecular self-assembly, a two-dimensional analogue to the well-known solution-based coordination chemistry, two-dimensional structures of rhodizonic acid were stabilized under ultrahigh vacuum on Au(111) and Cu(111) surfaces. Scanning tunneling microscopy, coupled with first-principles calculations, reveals that on the less reactive Au surface, extended two-dimensional islands of rhodizonic acid are formed, in which the molecules …


Infrared Phonon Modes In Multiferroic Single-Crystal Fete2o5br, K. H. Miller, X. S. Xu, H. Berger, V. Cracium, Xiaoxiang Xi, C. Martin, G. L. Carr, D. B. Tanner Jan 2013

Infrared Phonon Modes In Multiferroic Single-Crystal Fete2o5br, K. H. Miller, X. S. Xu, H. Berger, V. Cracium, Xiaoxiang Xi, C. Martin, G. L. Carr, D. B. Tanner

Xiaoshan Xu Papers

Reflection and transmission as a function of temperature (7–300 K and 5–300 K respectively) have been measured on single crystals of the multiferroic compound FeTe2O5Br utilizing light spanning from the far infrared to the visible. The complex dielectric function and other optical properties were obtained via Kramers-Kronig analysis and by fits to a Drude-Lortentz model. Analysis of the anisotropic excitation spectra via Drude-Lorentz fitting and lattice dynamical calculations have led to the observation of 43 of the 53 modes predicted along the b axis of the monoclinic cell. The phonon response parallel to the a and …


Growth Diagram Of La0.7sr0.3mno3 Thin Films Using Pulsed Laser Deposition, Hangwen Guo, Dali Sun, Wenbin Wang, Zheng Gai, Ivan Kravchenko, Jian Shao, Lu Jiang, Thomas Z. Ward, Paul C. Snijders, Lifeng Yin, Jian Shao, Xiaoshan Xu Jan 2013

Growth Diagram Of La0.7sr0.3mno3 Thin Films Using Pulsed Laser Deposition, Hangwen Guo, Dali Sun, Wenbin Wang, Zheng Gai, Ivan Kravchenko, Jian Shao, Lu Jiang, Thomas Z. Ward, Paul C. Snijders, Lifeng Yin, Jian Shao, Xiaoshan Xu

Xiaoshan Xu Papers

An experimental study was conducted on controlling the growth mode of La0.7Sr0.3MnO3 thin films on SrTiO3 substrates using pulsed laser deposition (PLD) by tuning growth temperature, pressure, and laser fluence. Different thin film morphology, crystallinity, and stoichiometry have been observed depending on growth parameters. To understand the microscopic origin, the adatom nucleation, step advance processes, and their relationship to film growth were theoretically analyzed and a growth diagram was constructed. Three boundaries between highly and poorly crystallized growth, 2D and 3D growth, stoichiometric and non-stoichiometric growth were identified in the growth diagram. A good …


Analytic Description Of Elastic Electron-Atom Scattering In An Elliptically Polarized Laser Field, A. V. Flegel, M. V. Frolov, N. L. Manakov, Anthony F. Starace, A. N. Zheltukhin Jan 2013

Analytic Description Of Elastic Electron-Atom Scattering In An Elliptically Polarized Laser Field, A. V. Flegel, M. V. Frolov, N. L. Manakov, Anthony F. Starace, A. N. Zheltukhin

Anthony F. Starace Publications

An analytic description of laser-assisted electron-atom scattering (LAES) in an elliptically polarized field is presented using time-dependent effective range (TDER) theory to treat both electron-laser and electron-atom interactions nonperturbatively. Closed-form formulas describing plateau features in LAES spectra are derived quantum mechanically in the low-frequency limit. These formulas provide an analytic explanation for key features of the LAES differential cross section. For the low-energy region of the LAES spectrum, our result generalizes the Kroll-Watson formula to the case of elliptic polarization. For the high-energy (rescattering) plateau in the LAES spectrum, our result generalizes prior results for a linearly polarized field valid …