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Modification Of The G-Phonon Mode Of Graphene By Nitrogen Doping, Pavel V. Lukashev, Liuyan Zhao, Tula R. Paudel, Theanne Schiros, Noah Hurley, Evgeny Y. Tsymbal, Aron Pinczuk, Abhay Pasupathy, Rui He 2017 University of Nothern Iowa

Modification Of The G-Phonon Mode Of Graphene By Nitrogen Doping, Pavel V. Lukashev, Liuyan Zhao, Tula R. Paudel, Theanne Schiros, Noah Hurley, Evgeny Y. Tsymbal, Aron Pinczuk, Abhay Pasupathy, Rui He

Pavel Lukashev

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We ...


Modification Of The G-Phonon Mode Of Graphene By Nitrogen Doping, Pavel V. Lukashev, Liuyan Zhao, Tula R. Paudel, Theanne Schiros, Noah Hurley, Evgeny Y. Tsymbal, Aron Pinczuk, Abhay Pasupathy, Rui He 2017 University of Nothern Iowa

Modification Of The G-Phonon Mode Of Graphene By Nitrogen Doping, Pavel V. Lukashev, Liuyan Zhao, Tula R. Paudel, Theanne Schiros, Noah Hurley, Evgeny Y. Tsymbal, Aron Pinczuk, Abhay Pasupathy, Rui He

Rui He

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We ...


Charge State Of Vacancy Defects In Eu-Doped Gan, Brandon Mitchell, N. Hernandez, D. Lee, A. Koizumi, Y. Fujiwara, V. Dierolf 2017 West Chester University of Pennsylvania

Charge State Of Vacancy Defects In Eu-Doped Gan, Brandon Mitchell, N. Hernandez, D. Lee, A. Koizumi, Y. Fujiwara, V. Dierolf

Physics

Eu ions have been doped into GaN in order to achieve red luminescence under current injection, where coupling between the Eu ions and intrinsic defects such as vacancies are known to play an important role. However, the charge state of the vacancies and the impact it would have on the optical and magnetic properties of the Eu ions have not been explored. Through a combination of first-principle calculations and experimental results, the influence of the charge state of the defect environment surrounding the Eu ions has been investigated. We have identified two Eu centers that are related through the charge ...


Ionization Enhancement And Suppression By Phase-Locked Ultrafast Pulse Pairs, David B. Foote, Y. Lin, Liang-Wen Pi, Jean Marcel Ngoko Djiokap, Anthony F. Starace, W. T. Hill 2017 University of Maryland at College Park

Ionization Enhancement And Suppression By Phase-Locked Ultrafast Pulse Pairs, David B. Foote, Y. Lin, Liang-Wen Pi, Jean Marcel Ngoko Djiokap, Anthony F. Starace, W. T. Hill

Anthony F. Starace Publications

We present the results of a study of ionization of Xe atoms by a pair of phase-locked pulses, which is characterized by interference produced by the twin peaks. Two types of interference are considered: ordinary optical interference, which changes the intensity of the composite pulse and thus the ion yield, and a quantum interference, in which the excited electron wave packets interfere. We use the measured Xe+ yield as a function of the temporal delay and/or relative phase between the peaks to monitor the interferences and compare their relative strengths. We model the interference with a pulse intensity function ...


"Blinded By The Lines: Mid-Ir Spectra Of Mira Variables Taken With Spitzer", Dana Baylis-Aguirre, Michelle J. Creech-Eakman, Donald G. Luttermoser, Tina Gueth 2017 New Mexico Institute of Mining and Technology

"Blinded By The Lines: Mid-Ir Spectra Of Mira Variables Taken With Spitzer", Dana Baylis-Aguirre, Michelle J. Creech-Eakman, Donald G. Luttermoser, Tina Gueth

Donald G. Luttermoser

We present preliminary analysis of mid-infrared spectra of M-type and C-type Mira variables. Due to the brightness of this sample, it is straightforward to monitor changes with phase in the infrared spectral features of these regular pulsators. We have spectra of 25 Mira variables, taken with phase, using the Spitzer Infrared Spectrograph (IRS) high-resolution module. Each star has multiple spectra obtained over a one-year period from 2008-09. This is a rich, unique data set due to multiple observations of each star and the high signal-to-noise ratio from quick exposure times to prevent saturation of the IRS instrument. This paper focuses ...


Correlated Percolation In Island-Forming Processes: Analysis Of Cooperative Filling On A Square Lattice, D. E. Sanders, James W. Evans 2017 Iowa State University

Correlated Percolation In Island-Forming Processes: Analysis Of Cooperative Filling On A Square Lattice, D. E. Sanders, James W. Evans

James W. Evans

Percolation transitions are analyzed for correlated distributions of occupied sites created by irreversible cooperative filling on a square lattice. Filling can be either autocatalytic, corresponding to island formation, or autoinhibitory. Here percolation problems for occupied and unoccupied clusters are generally distinct. Our discussion focuses on the influence of island formation (associated with correlation lengths of many lattice vectors), and of island perimeter roughness, on percolation. We also discuss the transition to continuum percolation problems as the ratio of island growth to nucleation rates, and thus the average island size, diverges. Some direct analysis of occupied cluster structure is provided, the ...


Analysis Of A Diffusion-Limited Island Growth Mechanism For Chemisorption And Epitaxy, James W. Evans 2017 Iowa State University

Analysis Of A Diffusion-Limited Island Growth Mechanism For Chemisorption And Epitaxy, James W. Evans

James W. Evans

We consider an island growth mechanism wherein species adsorbed on top of two-dimensional islands diffuse to the edge and are then incorporated. A simple matrix formulation is developed for this random-walk problem which allows exact calculation of the growth probability distribution, neglecting island rearrangement. Furthermore, we also show how related trapping probabilities can be calculated recursively for various stages of island growth. The case of imperfect trapping at island edges is also considered, and reduction to Eden-model–type growth in the low-trapping-probability regime is demonstrated. In general, the growing islands are rounder and have fewer defects and narrower active zones ...


Construction And Analysis Of Accurate Exchange-Correlation Potentials, Sviataslau V. Kohut 2017 The University of Western Ontario

Construction And Analysis Of Accurate Exchange-Correlation Potentials, Sviataslau V. Kohut

Electronic Thesis and Dissertation Repository

Practical Kohn–Sham density-functional calculations require approximations to the exchange-correlation energy functional, EXC[ρ], or the exchange-correlation potential, vXC(r), defined as the functional derivative of EXC[ρ] with respect to the electron density, ρ. This thesis focuses on the following problems: (i) development of approximate exchange-correlation potentials by modelling the exchange-correlation charge distribution; (ii) accurate approximation of functional derivatives of orbital-dependent functionals; (iii) generation of exchange-correlation potentials from many-electron wavefunctions; (iv) analysis of accurate exchange-correlation potentials in atoms and molecules.

The advantage of modelling the exchange-correlation potential through the exchange-correlation charge distribution, qXC(r), is ...


Experimental Studies Of The Nacs 53Π0 And 1(A)3Σ+ States, Seth T. Ashman, Brett McGeehan, Christopher Wolfe, Carl Faust, John Huennekens 2017 Providence College

Experimental Studies Of The Nacs 53Π0 And 1(A)3Σ+ States, Seth T. Ashman, Brett Mcgeehan, Christopher Wolfe, Carl Faust, John Huennekens

Seth Ashman

We present experimental studies of the NaCs molecule that are currently underway in our laboratory. The opticaloptical double resonance method is used to obtain Doppler-free excitation spectra for several excited states. Selected data from the 53Π0 electronic state are used to obtain Rydberg-Klein-Rees (RKR) and Inverse Perturbation Approach (IPA) potential curves. We are also mapping the repulsive wall of the 1(a) 3Σ +potential using many resolved bound-free fluorescence spectra from individual ro-vibrational levels of the 53Π0 electronic state to the 1(a) 3Σ + state. Using the determined 53Π0 state potential we fit the repulsive wall of the 1(a ...


Experimental Studies Of Nacs, Seth T. Ashman, C. M. Wolfe, J. P. Huennekens 2017 Providence College

Experimental Studies Of Nacs, Seth T. Ashman, C. M. Wolfe, J. P. Huennekens

Seth Ashman

We present experimental studies of excited electronic states of the NaCs molecule that are currently underway in our laboratory. The optical-optical double resonance method is used to obtain Doppler-free excitation spectra for several excited states. These data are being used to obtain RydbergKlein-Rees (RKR) or Inverse Perturbation Approach (IPA) potential curves for these states. We are also trying to map the bound portion of the 1(a) 3Σ + potential using resolved laser-induced fluorescence and Fourier transform spectroscopy to record transitions into the shallow well. Bound-free spectra from single ro-vibrational levels of electronically excited states to the repulsive wall of the ...


Collisional Transfer Of Population And Orientation In Nak, Seth T. Ashman, C. M. Wolfe, J. Huennekens, B. Beser, J. Bai, A. M. Lyyra 2017 Providence College

Collisional Transfer Of Population And Orientation In Nak, Seth T. Ashman, C. M. Wolfe, J. Huennekens, B. Beser, J. Bai, A. M. Lyyra

Seth Ashman

We report current work to study transfer of population and orientation in collisions of NaK molecules with argon and potassium atoms using polarization labeling (PL) and laser- induced fluorescence (LIF) spectroscopy. In the PL experiment, a circularly polarized pump laser excites a specific NaK A1Σ +(v 0=16, J 0 ) ← X1Σ +(v 00=0, J 0 ± 1) transition, creating an orientation (non-uniform MJ0 level distribution) in both levels. The linearly polarized probe laser is scanned over various 31Π(v, J 0±1) ← A1Σ +(v 0=16, J 0 ) transitions. The probe laser passes through a crossed linear polarizer before detection ...


Polarization Spectroscopy And Collisions In Nak, Seth T. Ashman, C. M. Wolfe, J. Huennekens, B. Beser, J. Bai, A. M. Lyyra 2017 Providence College

Polarization Spectroscopy And Collisions In Nak, Seth T. Ashman, C. M. Wolfe, J. Huennekens, B. Beser, J. Bai, A. M. Lyyra

Seth Ashman

We report current work to study transfer of population and orientation in collisions of NaK molecules with argon and potassium atoms using polarization labeling (PL) and laser-induced fluorescence (LIF) spectroscopy. In the PL experiment, a circularly polarized pump laser excites a specific NaK A1Σ +(v=16, J) ← X1Σ +(v=0, J ± 1) transition, creating an orientation (non-uniform MJ level distribution) in both levels. The linear polarized probe laser is scanned over various 3 1Π(v=8, J 0 ± 1) ← A1Σ +(v=16, J 0 ) transitions. The probe laser passes through a crossed linear polarizer before detection, and signal is recorded ...


Vibrational State Resolved Lifetimes Of The Na2 21Σ+U Double Well State, Seth T. Ashman, Lutz Huwel, Roy Anunciado, Nadeepa Jayasundara 2017 Providence College

Vibrational State Resolved Lifetimes Of The Na2 21Σ+U Double Well State, Seth T. Ashman, Lutz Huwel, Roy Anunciado, Nadeepa Jayasundara

Seth Ashman

Lifetimes of individual Na2 ro-vibrational levels of the 21Σ + u double well-state have been measured using a delayed photoionization technique. Ground state Na2 produced in a molecular beam is excited resonantly by the doubled output of a pulsed dye laser in the range 333 – 357 nm and then ionized by a 532 nm photon from a time-delayed Nd:YAG laser. By appropriate excitation laser tuning and systematic variation of the probe laser delay, ro-vibrational level resolved lifetimes are obtained for v=25- 49. The double well state lifetime values are found to decrease from about 50 ns at v=25 ...


Comparison Of Absorption, Fluorescence, And Polarization Spectroscopy Of Atomic Rubidium, Seth T. Ashman, Cayla Stifler, Joaquin Romero 2017 Providence College

Comparison Of Absorption, Fluorescence, And Polarization Spectroscopy Of Atomic Rubidium, Seth T. Ashman, Cayla Stifler, Joaquin Romero

Seth Ashman

An ongoing spectroscopic investigation of atomic rubidium utilizes a two-photon, single-laser excitation process. Transitions accessible with our tunable laser include 5P1/2 (F ′ ) ← 5S1/2 (F) and 5P3/2 (F ′ ) ← 5S1/2 (F). The laser is split into a pump and probe beam to allow for Doppler-free measurements of transitions between hyperfine levels. The pump and probe beams are overlapped in a counter-propagating geometry and the laser frequency scans over a transition. Absorption, fluorescence and polarization spectroscopy techniques are applied to this basic experimental setup. The temperature of the vapor cell and the power of the pump and probe beams ...


Adiabatic-Limit Coulomb Factors For Photoelectron And High-Order-Harmonic Spectra, M. V. Frolov, N. L. Manakov, A. A. Minina, S. V. Popruzhenko, Anthony F. Starace 2017 Voronezh State University, Russia

Adiabatic-Limit Coulomb Factors For Photoelectron And High-Order-Harmonic Spectra, M. V. Frolov, N. L. Manakov, A. A. Minina, S. V. Popruzhenko, Anthony F. Starace

Anthony F. Starace Publications

A momentum-dependent Coulomb factor in the probability for nonlinear ionization of atoms by a strong low-frequency laser field is calculated analytically in the adiabatic approximation. Expressions for this Coulomb factor, valid for an arbitrary laser pulse waveform, are obtained and analyzed in detail for the cases of linear and circular polarizations. The dependence of the Coulomb factor on the photoelectron momentum is shown to be significant in both cases. Using a similar technique, the Coulomb factor for emission of high-order harmonics by an atom in a bichromatic laser field is also calculated. In contrast to the case of a single-frequency ...


Quantum Control Via A Genetic Algorithm Of The Field Ionization Pathway Of A Rydberg Electron, Vincent C. Gregoric, Xinyue Kang, Zhimin Cheryl Liu, Zoe A. Rowley, Thomas J. Carroll, Michael W. Noel 2017 Bryn Mawr College

Quantum Control Via A Genetic Algorithm Of The Field Ionization Pathway Of A Rydberg Electron, Vincent C. Gregoric, Xinyue Kang, Zhimin Cheryl Liu, Zoe A. Rowley, Thomas J. Carroll, Michael W. Noel

Physics and Astronomy Faculty Publications

Quantum control of the pathway along which a Rydberg electron field ionizes is experimentally and computationally demonstrated. Selective field ionization is typically done with a slowly rising electric field pulse. The (1/n*)4 scaling of the classical ionization threshold leads to a rough mapping between arrival time of the electron signal and principal quantum number of the Rydberg electron. This is complicated by the many avoided level crossings that the electron must traverse on the way to ionization, which in general leads to broadening of the time-resolved field ionization signal. In order to control the ionization pathway, thus directing ...


Raman Spectroscopy Of Oxygen Evolution Catalysts And Psii Manganese Model Compounds, Sergei Shmakov, Daniel A. Hartzler, Alireza Karbakhsh Ravari, Yulia Pushkar 2017 Purdue University

Raman Spectroscopy Of Oxygen Evolution Catalysts And Psii Manganese Model Compounds, Sergei Shmakov, Daniel A. Hartzler, Alireza Karbakhsh Ravari, Yulia Pushkar

The Summer Undergraduate Research Fellowship (SURF) Symposium

Photosynthesis is the basis of life on earth, and oxygen evolution catalysts are key components of this complicated, yet not fully understood process. Photosystem II, a large membrane bound pigment-protein complex, is the key system that facilitates oxygenic photosynthesis via the oxygen evolving complex (a natural oxygen evolving catalyst). It is a key component in oxygen producing catalysts, which can be used in fields such as energy production and biomimetic catalysts. The oxygen evolution cycle, or Kok cycle going within it is still not studied completely. In this project, we were studying the vibrational (and structural) state of a Manganese ...


Angular Distribution Of Single-Photon Superradiance In A Dilute And Cold Atomic Ensemble, A. S. Kuraptsev, I. M. Sokolov, M. D. Havey 2017 Old Dominion University

Angular Distribution Of Single-Photon Superradiance In A Dilute And Cold Atomic Ensemble, A. S. Kuraptsev, I. M. Sokolov, M. D. Havey

Physics Faculty Publications

On the basis of a quantum microscopic approach we study the dynamics of the afterglow of a dilute Gaussian atomic ensemble excited by pulsed radiation. Taking into account the vector nature of the electromagnetic field we analyze in detail the angular and polarization distribution of single-photon superradiance of such an ensemble. The dependence of the angular distribution of superradiance on the length of the pulse and its carrier frequency as well as on the size and the shape of the atomic clouds is studied. We show that there is substantial dependence of the superradiant emission on the polarization and the ...


Optimizing An Electron's Path To Ionization Using A Genetic Algorithm, Jason Bennett, Kevin Choice 2017 Ursinus College

Optimizing An Electron's Path To Ionization Using A Genetic Algorithm, Jason Bennett, Kevin Choice

Physics and Astronomy Summer Fellows

A Rydberg atom is an atom with a highly excited and weakly bound valence electron. A widespread method of studying quantum mechanics with Rydberg atoms is to ionize the electron and measure its arrival time. We use a Genetic Algorithm (GA) to control the electron's path to ionization. The Rydberg electron's energy levels are strongly shifted by the presence of an electric field. The energy levels shift and curve, but never cross. At an avoided crossing the electron can jump from one level to the next. By engineering the electric field's time dependence, we thereby control the ...


Kinematical Vortices In Double Photoionization Of Helium By Attosecond Pulses, Jean Marcel Ngoko Djiokap, A. V. Meremianin, N. L. Manakov, S. X. Hu, L. B. Madsen, Anthony F. Starace 2017 University of Nebraska-Lincoln

Kinematical Vortices In Double Photoionization Of Helium By Attosecond Pulses, Jean Marcel Ngoko Djiokap, A. V. Meremianin, N. L. Manakov, S. X. Hu, L. B. Madsen, Anthony F. Starace

Anthony F. Starace Publications

Two-armed helical vortex structures are predicted in the two-electron momentum distributions produced in double photoionization (DPI) of the He atom by a pair of time-delayed elliptically polarized attosecond pulses with opposite helicities. These predictions are based upon both a first-order perturbation theory analysis and numerical solutions of the two-electron, time-dependent Schrödinger equation in six spatial dimensions. The helical vortex structures originate from Ramsey interference of a pair of ionized two-electron wave packets, each having a total angular momentum of unity, and appear in the sixfold differential DPI probability distribution for any energy partitioning between the two electrons. The vortex structures ...


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