Condensed Matter Physics Commons^™

Dft-Based Study Of Electric Field Effect On The Polarizability Of Three Ringed Nematic Liquid Crystal Molecules, Pranav Upadhyay, Mirtunjai Mishra, Ankur Trivedi, Jitendra Kumar, Asheesh Kumar, Devesh Kumar

Makara Journal of Science

Owing to its successful application to complex molecular systems, computational density functional theory (DFT) has been used to study the effect of an electric field on the molecular polarizability and HOMO–LUMO gap of 1-phenyl-4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}benzene (1) and its fluoro-, chloro-, and cyano- derivatives, namely, 1-fluoro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (2), 1-chloro-4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzene (3), and 4-(4-{2-[(1s,4r)-4-pentylcyclohexyl]ethyl}phenyl)benzonitrile (4). These molecules belong to the family of nematic liquid crystals with three rings: two benzene and one cyclohexane. Furthermore, two DFT approaches, namely, B3LYP and M062X, have been used to examine the results obtained. This study reveals a remarkable feature: the polarizability of these molecules follows nearly a step function …

Data Processing & Analysis For Atomic Force Microscopy (Afm), Molly Mcdonough, Polievkt Perov, Walter Johnson, Stevan Radojev

Undergraduate Theses and Capstone Projects

Scanning Probe Microscopy (SPM) has become a critical tool for characterization of materials in fields such as physics, material science, chemistry, and biology. Atomic Force Microscopy (AFM) is an increasingly useful technique because of its high resolution in three dimensions, the sample does not need to be conductive, and the technique does not need to take place in vacuum. AFM can image a wide variety of topographies and many different types of materials. AFM can deliver 3D topography information from the angstrom level to the micron scale with high resolution. One of the most important aspects of Atomic Force Microscopy …

Ultrafast Spin-Currents And Charge Conversion At 3d-5d Interfaces Probed By Time-Domain Terahertz Spectroscopy, T. H. Dang, J. Hawecker, E. Rongione, G. Baez Flores, D. Q. To, J. C. Rojas-Sanchez, H. Nong, J. Mangeney, J. Tignon, F. Godel, S. Collin, P. Seneor, M. Bibes, A. Fert, M. Anane, J. M. George, L. Vila, M. Cosset-Cheneau, D. Dolfi, R. Lebrun, P. Bortolotti, Kirill Belashchenko, S. Dhillon, H. Jaffrès

Kirill Belashchenko Publications

Spintronic structures are extensively investigated for their spin-orbit torque properties, required for magnetic commutation functionalities. Current progress in these materials is dependent on the interface engineering for the optimization of spin transmission. Here, we advance the analysis of ultrafast spin-charge conversion phenomena at ferromagnetic-Transition metal interfaces due to their inverse spin-Hall effect properties. In particular, the intrinsic inverse spin-Hall effect of Pt-based systems and extrinsic inverse spin-Hall effect of Au:W and Au:Ta in NiFe/Au:(W,Ta) bilayers are investigated. The spin-charge conversion is probed by complementary techniques-ultrafast THz time-domain spectroscopy in the dynamic regime for THz pulse emission and ferromagnetic resonance spin-pumping …

The Importance Of Frontier Orbital Symmetry In The Adsorption Of Diiodobenzene On Mos2(0001), Prescott E. Evans, Zahra Hooshmand, Talat S. Rahman, Peter Dowben

Peter Dowben Publications

Evidence of a role of frontier orbital symmetry, in the adsorption process of diiodobenzene on MoS₂(0001), appears in the huge differences in the rate of adsorption between 1,3-diiodobenzene, 1,2-diiodobenzene and 1,4-diiodobenzene isomers on MoS₂. Experiments indicate that the rate of adsorption of 1,3-diiodobenzene on MoS2(0001) is much greater than that of the 1,2-diodobenzene and 1,4-diiodbenzene isomers. As the differences in calculated diiodobenzene isomer-MoS₂ system adsorption energies and electron affinities are negligible, frontier orbital symmetry appears to play a significant role in diiodobenzene adsorption on MoS₂(0001). The experimental and theory results, in combination, suggest …

Stability Of Group Four Monochalcogenides In Water And Air, William Shattuck

Graduate Theses and Dissertations

Previously published works have simulated the behavior of monolayer group IV monochalcogenides and predicted them to have very useful electronic properties. These simulations have also predicted that monolayers of group IV monochalcogenides will degrade quickly when exposed to water, even in extremely low concentrations. We hypothesize that thin samples of these materials will show signs of degradation if left in air and in water for an extended period of time.

Samples of each of the four monochalcogenides (GeS, GeSe, SnS and SnSe) were exfoliated onto clean oxidized silicon substrates. Chemical analysis showed the SnSe samples were contaminated, so they were …

Static And Dynamical Properties Of Multiferroics, Sayed Omid Sayedaghaee

Graduate Theses and Dissertations

Since the silicon industrial revolution in the 1950s, a lot of effort was dedicated to the research and development activities focused on material and solid-state sciences. As a result, several cutting-edge technologies are emerging including the applications of functional materials in the design and enhancement of novel devices such as sensors, highly capable data storage media, actuators, transducers, and several other types of electronic tools. In the last two decades, a class of functional materials known as multiferroics has captured significant attention because of providing a huge potential for new designs due to possessing multiple ferroic order parameters at the …

Band Structure Topology And Spin Transport In Magnon Systems, Bo Li

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

As the spin excitation quanta in magnetic materials, the magnon is at the heart of the spintronics research because it plays a key role in magnetic dynamics, energy and spin transport, and even determining the ground state of magnetic systems. In this thesis, we will study the band-structure topology and transport properties of magnons in both collinear and noncollinear magnets. Inspired by the great success of topological insulators, exploring magnon topology can unveil the topological nature of bosonic particles and widen the zoo of topological materials. We propose a three-dimensional magnon topological insulator model protected by sublattice chiral symmetries, which …

Non-Hermitian Topology Of One-Dimensional Spin-Torque Oscillator Arrays, Benedetta Flebus, Rembert A. Duine, Hilary M. Hurst

Faculty Research, Scholarly, and Creative Activity

Magnetic systems have been extensively studied both from a fundamental physics perspective and as building blocks for a variety of applications. Their topological properties, in particular those of excitations, remain relatively unexplored due to their inherently dissipative nature. The recent introduction of non-Hermitian topological classifications opens up new opportunities for engineering topological phases in dissipative systems. Here, we propose a magnonic realization of a non-Hermitian topological system. A crucial ingredient of our proposal is the injection of spin current into the magnetic system, which alters and can even change the sign of terms describing dissipation. We show that the magnetic …

Proximity-Induced Magnetization In Graphene: Towards Efficient Spin Gating, Mihovil Bosnar, Ivor Lončarić, P. Lazić, Kirill Belashchenko, Igor Žutić

Kirill Belashchenko Publications

Gate-tunable spin-dependent properties could be induced in graphene at room temperature through the magnetic proximity effect by placing it in contact with a metallic ferromagnet. Because strong chemical bonding with the metallic substrate makes gating ineffective, an intervening passivation layer is needed. Previously considered passivation layers result in a large shift of the Dirac point away from the Fermi level, so that unrealistically large gate fields are required to tune the spin polarization in graphene (Gr). We show that a monolayer of Au or Pt used as the passivation layer between Co and graphene brings the Dirac point closer to …

Adsorption And Reconfiguration Of Amphiphiles At Silica-Water Interfaces: Role Of Electrostatic Interactions, Van Der Waals Forces And Hydrogen Bonds, Yao Wu

LSU Doctoral Dissertations

The ability to explore and predict metastable structures of hybrid self-assemblies is of central importance for the next generation of advanced materials with novel properties. As compared to their thermodynamically stable forms, the kinetically stabilized materials show improved functionality potentially over their stable counterparts. The self-assembly processes usually originate from weak intermolecular interactions, involving a dynamic competition between attractive and repulsive interactions. These weak forces, including van der Waals (vdW), electrostatic interaction and the hydrogen bonding (H-bonding), can be tuned by external stimuli, e.g., confinement, temperature and ionization, and consequently driving hybrid materials into different configurations. It is challenging to …

Detection Of Uncompensated Magnetization At The Interface Of An Epitaxial Antiferromagnetic Insulator, Pavel N. Lapa, Min Han Lee, Igor V. Roshchin, Kirill Belashchenko, Ivan K. Schuller

Kirill Belashchenko Publications

We have probed directly the temperature and magnetic field dependence of pinned uncompensated magnetization at the interface of antiferromagnetic FeF₂ with Cu, using FeF₂-Cu-Co spin valves. Electrons polarized by the Co layer are scattered by the pinned uncompensated moments at the FeF₂-Cu interface giving rise to giant magnetoresistance. We determined the direction and magnitude of the pinned uncompensated magnetization at different magnetic fields and temperatures using the angular dependencies of resistance. The strong FeF₂ anisotropy pins the uncompensated magnetization along the easy axis independent of the cooling field orientation. Most interestingly, magnetic fields as …

Reinvestigation Of The Intrinsic Magnetic Properties Of (Fe1-Xcox)2b Alloys And Crystallization Behavior Of Ribbons, Tej Nath Lamichhane, Olena Palasyuk, Vladimir P. Antropov, Ivan A. Zhuravlev, Kirill Belashchenko, Ikenna C. Nlebedim, Kevin W. Dennis, Anton Jesche, Matthew J. Kramer, Sergey L. Bud'ko, R. William Mccallum, Paul C. Canfield, Valentin Taufour

Kirill Belashchenko Publications

New determination of the magnetic anisotropy from single crystals of (Fe_1-xCo_x)2B alloys are presented. The anomalous temperature dependence of the anisotropy constant is discussed using the standard Callen-Callen theory, which is shown to be insufficient to explain the experimental results. A more material specific study using first-principles calculations with disordered moments approach gives a much more consistent interpretation of the experimental data. Since the intrinsic properties of the alloys with x=0.3-0.35 are promising for permanent magnets applications, initial investigation of the extrinsic properties are described, in particular the crystallization of melt spun ribbons with Cu, Al, …

Strain And Stress Relationships For Optical Phonon Modes In Monoclinic Crystals With Β-Ga2O3 As An Example, Rafal Korlacki, Megan Stokey, Alyssa Lynn Mock, Sean Knight, Alexis Papamichail, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

Strain-stress relationships for physical properties are of interest for heteroepitaxial material systems, where strain and stress are inherent due to thermal expansion and lattice mismatch. We report linear perturbation theory strain and stress relationships for optical phonon modes in monoclinic crystals for strain and stress situations which maintain the monoclinic symmetry of the crystal. By using symmetry group analysis and phonon frequencies obtained under various deformation scenarios from density-functional perturbation theory calculations on β-Ga₂O₃, we obtain four strain and four stress potential parameters for each phonon mode. We demonstrate that these parameters are sufficient to …

Using Current-Voltage Characteristics To Probe The Transport Mechanism In Carbon Nanotube Networks, Alejandro Jimenez

Physics

Carbon nanotube (CNT) random networks have shown great promise in electronic applications. For example, they have been used as the active layer in thin film transistor biosensors and as electrodes in supercapacitors (Hu, 2010). Although CNT networks applications are numerous, some of the key details of their electrical behavior are not fully understood. In particular, it is known that the junctions between tubes in CNT networks play a key role in determining the sensing properties of the network (Thanihaichelvana, et al., 2018), however, the mechanism by which metallic-semiconducting (m-s) tube junctions affect the electrical sensing properties of the network is …

Possible Superconductivity Above 40 K In Rhenium-Doped Strontium Ruthenates Indicated By Fourier-Transform Infrared Spectroscopy, Yurii Aleschenko, Boris Gorshunov, Elena Zhukova, Andrey Muratov, Alexander Dudka, Rajendra Dulal, Serafim Teknowijoyo, Sara Chahid, Vahan Nikoghosyan, Armen Gulian

Mathematics, Physics, and Computer Science Faculty Articles and Research

Strontium ruthenates have a lot of similarities with copper oxide superconductors and are a very interesting object for investigation of mechanisms and conditions which lead to high-temperature superconductivity. We report here on multiple experimental indications of superconductivity with the onset above 40K in strontium ruthenate doped by rhenium and selenium with chlorine used as a flux. The main experimental evidence comes from FTIR spectroscopy of this material followed by the ac and dc magnetization, as well as its heat capacity and magnetoresistance. Structural and morphological studies reveal the heterophase nature of this polycrystalline material as well as changes of lattice …

Schrödinger-Pauli Theory Of Electrons: New Perspectives, Viraht Sahni

Publications and Research

The Schrödinger-Pauli (SP) theory of electrons in an electromagnetic field explicitly accounts for the electron spin moment. The many-electron theory is complemented via a new descriptive perspective viz. that of the individual electron via its equation of motion or ‘Quantal Newtonian’ first law. The law is in terms of ‘classical’ fields whose sources are quantum mechanical expectation values of Hermitian operators taken with respect to the system wave function. The law states that each electron experiences an external and an internal field, the sum of which vanish. The external field is the sum of the binding electrostatic and a Lorentz …

Superconducting Phase Transition In Inhomogeneous Chains Of Superconducting Islands, Eduard Ilin, Irina Burkova, Xiangyu Song, Michael V. Pak, Dmitri S. Golubev, Alexey Bezryadin

Faculty Publications

We study one-dimensional chains of superconducting islands with a particular emphasis on the regime in which every second island is switched into its normal state, thus forming a superconductor-insulator-normal metal (S-I-N) repetition pattern. As is known since Giaever tunneling experiments, tunneling charge transport between a superconductor and a normal metal becomes exponentially suppressed, and zero-bias resistance diverges, as the temperature is reduced and the energy gap of the superconductor grows larger than the thermal energy. Here we demonstrate that this physical phenomenon strongly impacts transport properties of inhomogeneous superconductors made of weakly coupled islands with fluctuating values of the critical …

Cold Sintering Diisopropylamonium Bromide To Form Organic Ceramic Pellets, Darren Armstrong

Honors Program: Senior Projects (Public)

Diisopropylamonium bromide is an organic ferroelectric compound. Standard sample preparation methods either require a powder or a single crystal. Certain measurements cannot be done on powders due to equipment limitations, and single crystals are difficult and time consuming to produce and handle. Cold sintering is a relatively new process that allows the creation of ceramics. The original cold sintering process was adapted to work for diisopropylamonium bromide. This allows the creation of ceramics with a large surface area. These pellets can achieve up to 95% of the theoretical maximum density. While the pellets are currently unsuitable for electric testing at …

Indium Segregation To The Selvedge Of In4Se3 (001), Archit Dhingra, Zoe G. Marzouk, Esha Mishra, Pavlo V. Galiy, Taras M. Nenchuk, Peter Dowben

Peter Dowben Publications

Thermal motion of the surface atoms will lead to a decrease in photoemission intensity, while surface segregation may result in an increase of some phostoemission intensities. For In4Se3(001), both effects are seen. The Debye–Waller factor plot, based on the temperature dependent X-ray photoemission spectroscopy (XPS) measurements on In4Se3(001), suggests an upper bound of 203 ± 6 K for the effective Debye temperature, based on the surface component of the In 3d5/2 core-level. Indium is found to segregate to selvedge (subsurface region) of the crystal.

Emulating Condensed Matter Systems In Classical Wave Metamaterials, Matthew Weiner

Dissertations, Theses, and Capstone Projects

One of the best tools we have for the edification of physics is the analogy. When we take our classical set of states and dynamical variables in phase space and treat them as vectors and Hermitian operators respectively in Hilbert space through the canonical quantization, we lose out on a lot of the intuition developed with the previous classical physics. With classical physics, through our own experiences and understanding of how systems should behave, we create easy-to-understand analogies: we compare the Bohr model of the atom to the motion of the planets, we compare electrical circuits to the flow of …

Linear And Non-Linear Elastic Constants Of Crystalline Materials From First-Principles Calculations, David Cuffari

Dissertations, Theses, and Capstone Projects

Novel methods based on the use of density functional theory (DFT) calculations are developed and applied to calculate linear and non-linear elastic constants of materials at zero and finite temperature. These methods rely on finite difference techniques and are designed to be general, numerically accurate, and suitable to investigate the thermoelastic properties of anharmonic materials. A first method was developed to compute the third-order elastic constants of crystalline materials at zero temperature, a task that is numerically challenging and is currently undertaken by using approaches typically applicable to cubic and hexagonal crystalline systems. This method relies on numerical differentiation of …

Wave Propagation In Random And Topological Media, Yuhao Kang

Dissertations, Theses, and Capstone Projects

This thesis discusses wave propagation in two kinds of systems, random media and topological insulators. In a disordered system, the wave is randomized by multiple scattering. The scattering matrix and associated delay times are powerful tools with which to describe wave transport. We discuss the relation among the Wigner time, the transmission time, and energy density in a lossless or lossy system. We propose the zeros of the transmission matrix and show how to manipulate the zero-transmission mode in a nonunitary system. In a photonic topological insulator, we realize an edge mode and discuss its robustness in the face of …

The Electronic Properties Of The Quasi-One-Dimensional Transition Metal Trichalcogenides: Tis3 And Zrs3, Simeon Gilbert

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

The transition metal trichalcogenides are a class of materials formed by 1D chains of covalently bound MX₃ (M=Ti, Zr, Hf, Ta, Nb; X=S, Se, Te) trigonal prisms which are held together by weak van der Waals forces to form 2D sheets. Because of their superior edge termination, these materials suppress edge scattering effects that plague other two-dimensional materials thus enabling devices scaling to widths below 10 nm. Furthermore, this quasi-one-dimensional structure results in highly anisotropic electronic and optical properties which were examined through angle resolved photoemission spectroscopy and scanning photocurrent microscopy. These measurements show that the hole carrier masses …

Investigation Of Space-Charge-Limited Conduction Mechanisms In Fe3o4-Y-Fe2o3 Based On Sio2/N-Type Si Substrate, Nik Zumaihan Nik Nadia Aina

Student Works (2020-2029)

In this work, thin films of functionalized Fe3O4-γ-Fe2O3 NPs deposited on n-type Si substrate was formed by self-assembly. The co-precipitation method was involved to synthesis the bare iron oxide NPs and the particles were altered to optimum pH 12 by using NH4OH. Iron oxide NPs were then undergone modification process with addition of 0.4 g oleic acid and 1.63 mmol functionalization 4-pentynoic acid. For electrical characterization of self-assembled 4-pentynoic acid functionalized Fe3O4-γ-Fe2O3 NPs on SiO2/n-Si substrate, the charge conduction mechanisms were quantitatively investigated and analyzed through the oxides for different heat treatment temperatures (70-300oC). In this study, the Ohm’s Law …

Trap-Assisted Tunneling Mechanism Of Zirconium Oxynitride (Zron) Thin Film On Silicon Carbide, Krishnamoorthy Nicklaane

Student Works (2020-2029)

This research is a study on the possibilities of trap-assisted tunneling conduction mechanism in Zirconium Oxynitride (ZrON) after Zirconium (Zr) with thickness 5nm was sputtered on Silicon Carbide (SiC) substrate which then underwent simultaneous nitridation and oxidation in Nitrous Oxide (N2O) for 15 minutes in 4 different ambient temperatures of 400°C, 500°C, 700⁰C, 900°C. Electrical properties of the samples were then characterized by fabricating Al-gate MOS capacitors onto the film surface. Of all 4 samples, sample that was oxidized/nitrided at 500°C demonstrated to have the highest dielectric breakdown (EB) of 5.05 MV/cm and lowest EB was by sample that was …

Analysis Of Space-Charge-Limited Conduction Mechanisms In Zron/Sic System, Hasnurashid Nur Hasdyanna

Student Works (2020-2029)

In this study, current conduction mechanism by space-charge-limited conduction (SCLC) and Poole-Frenkel (PF) emission on ZrON/SiC system that was oxidized and nitrided in N2O at various temperatures (400-900˚C) were analysed. The current-voltage (I-V) measurements were performed in Al-gate metal-oxide-semiconductor (MOS) capacitor by sputtering of Al film on top of the film and at the back of the substrate. Then, characterization of electrical properties was done according to two types of bulk-limited conduction, which are space-charge-limited conduction and Poole-Frenkel emission conduction. Space-charge-limited conduction and Poole-Frenkel emission have been systematically evaluated through data analysis method by the fitting of linear regression according …

Schottky And Poole-Frenkel Conduction Mechanisms In Zron/Sic System, Lusus Vanessa

Student Works (2020-2029)

In this work, the conduction mechanisms of Schottky Emission (SE) and Poole–Frenkel (PF) Emission for the ZrON/SiC system with a temperature range between 400 oC to 900 oC were analyzed. Understanding of the conduction charge mechanisms will help to estimate leakage characteristics of the ZrON/SiC system. Based on the J-E plot measured at different temperatures for 15 minutes, the obtained r2 was ranged between 0.90–0.98, which confirmed the data obtained complied with the standard SE model. Furthermore, the data plotted from the Effective Barrier Height Extracted from the SE plot showed the highest values of

Control Of Molecular Energetics And Transport Via Strong Light-Matter Interaction, Rong Wu

Dissertations, Theses, and Capstone Projects

Strong light-matter coupling in excitonic systems results in the formation of half-light half-matter quasiparticles called exciton polaritons. These hybrid quasiparticles take on the best of both systems, namely, the long-range propagation and coherence arising from the photonic component and the nonlinear interaction from the excitonic component. We develop methods for making high quality factor cavities and investigate the potential applications of these strongly coupled states arising specifically in organic molecular systems.

In the first project we investigate the potential of organic dye molecules to undergo condensation in an optical cavity at room temperature. The second study involves the use of …

Brillouin Zone Center Phonon Modes In Znga2O4, Megan Stokey, Rafal Korlacki, Sean Knight, Matthew J. Hilfiker, Zbigniew Galazka, Klaus Irmscher, Vanya Darakchieva, Mathias Schubert

Department of Electrical and Computer Engineering: Faculty Publications

Infrared-active lattice mode properties of melt-grown high-quality single bulk crystals of ZnGa₂O₄ are investigated by combined spectroscopic ellipsometry and density functional theory computation analysis. The normal spinel structure crystals are measured by spectroscopic ellipsometry at room temperature in the range of 100 cm^–1–1200 cm^–1. The complex-valued dielectric function is determined from a wavenumber-by-wavenumber approach, which is then analyzed by the four-parameter semi-quantum model dielectric function approach augmented by impurity mode contributions. We determine four infrared-active transverse and longitudinal optical mode pairs, five localized impurity mode pairs, and the high frequency dielectric constant. All …

Electron Emission And Transport Properties Database For Spacecraft Charging Models, Phil Lundgreen

Theses and Dissertations

Modeling the rate and likelihood of spacecraft charging during spacecraft mission is critical to determine mission length, proposed spacec­raft attitude, and spacecraft design. The focus of this work is the creation and utilization of a database of secondary electron yield (SEY) measurements for a host of materials to increase accuracy in spacecraft modeling. Traditional methods of SEY data selection for input into spacecraft charging codes typically include the use of compiled materials databases incorporated in charging codes or selecting values from a specific scientific study. The SEY database allows users to select data inputs based upon the details associated with …