Condensed Matter Physics Commons^™

Controlled Self-Organization And Tunable Collective Phenomena In Surface-Based Nanostructures, Eun Ju Moon

Doctoral Dissertations

Nanostructure systems possessing certain desirable features can arise from the self-organization of fundamental building blocks. In this thesis we explore two types of controlled self-assembly mechanisms in hetero-epitaxy: (a) classical assembly of atom vacancies into quasi one-dimensional line structures and (b) quantum-driven assembly of atoms into atomically-smooth two-dimensional thin films. In the classical assembly phenomenon, adatom vacancies, created via elastic strain-relaxation in compressively strained atom chains on a silicon substrate, self-organize into meandering vacancy lines. The average spacing between these line defects can be varied by adjusting the chemical potential μ of the adsorbed atoms. We implemented a lattice model …

Modeling Of Metal-Ferroelectric-Insulator-Semiconductor Structures Based On Langmuir–Blodgett Copolymer Films, Timothy J. Reece, Stephen Ducharme

Stephen Ducharme Publications

Among the ferroelectric thin films used in field-effect transistor devices; the ferroelectric copolymer of polyvinylidene fluoride PVDF –CH2–CF2–, with trifluoroethylene TrFE –CHF–CF2–, has distinct advantages, including low dielectric constant, low processing temperature, low cost, and compatibility with organic semiconductors. The operation of a metal-ferroelectric insulatorsemiconductor structure with PVDF-TrFE as the ferroelectric layer was analyzed and optimized by numerical solution of the Miller and McWhorter model. A model device consisting of 20 nm PVDF/TrFE on a 10-nm-thick high-k dielectric buffer exhibits a memory window of 5 V with an operating voltage of 15 V. The operating voltage can be reduced to …

Self-Organized Criticality In Sheared Suspensions, L. Corté, Sharon J. Gerbode, W. Man, D. J. Pine

All HMC Faculty Publications and Research

Recent studies reveal that suspensions of neutrally buoyant non-Brownian particles driven by slow periodic shear can undergo a dynamical phase transition between a fluctuating irreversible steady state and an absorbing reversible state. Using a computer model, we show that such systems exhibit self-organized criticality when a finite particle sedimentation velocity v_s is introduced. Under periodic shear, these systems evolve, without external intervention, towards the shear-dependent critical concentration ϕ_c as v_s is reduced. This state is characterized by power-law distributions in the lifetime and size of fluctuating clusters. Experiments exhibit similar behavior and, as v_s is reduced, …

Ballistic-Ohmic Quantum Hall Plateau Transition In A Graphene P-N Junction, Tony Low

Birck and NCN Publications

Recent quantum Hall experiments conducted on disordered graphene p-n junction provide evidence that the junction resistance could be described by a simple Ohmic sum of the n and p mediums’ resistances. However in the ballistic limit, theory predicts the existence of chirality-dependent quantum Hall plateaus in a p-n junction. We show that two distinctively separate processes are required for this ballistic-Ohmic plateau transition, namely, (i) hole/electron Landau states mixing and (ii) valley isospin dilution of the incident Landau edge state. These conclusions are obtained by a simple scattering theory argument, and confirmed numerically by performing ensembles of quantum magnetotransport calculations …

Analysis Of Nonequilibrium Hcp Precipitate Growth In Fcc Matrices: Application To Al–Ag, Daniel Finkenstadt, Duane D. Johnson

Duane D. Johnson

Hexagonal-close-packed (hcp) γ-precipitates with large aspect ratios form rapidly in some face-centered cubic (fcc) solid-solutions. No model explains the observed time-dependent increase in aspect ratio, nor irregular intermediate growth shapes. We propose a nonequilibrium process involving trapezoidal offshoots (controlled only by energetics) that governs the growth behavior (kinetics) and yields nonequilibrium structures in agreement with observation. Then, combining nucleation theory and diffusion-limited growth both of secondary nuclei and ledges, we derive a general growth equation for γ-precipitates due to solute-segregation to precipitate–matrix interfaces that includes our modification of the Jones–Trivedi model for thickening to account for the slow growth of …

Damping And Decoherence Of A Nanomechanical Resonator Due To A Few Two-Level Systems, Laura G. Remus, Miles P. Blencowe, Yukihiro Tanaka

Dartmouth Scholarship

We consider a quantum model of a nanomechanical flexing beam resonator interacting with a bath comprising a few damped tunneling two-level systems. In contrast with a resonator interacting bilinearly with an ohmic free oscillator bath (modeling clamping loss, for example), the mechanical resonator damping is amplitude dependent, while the decoherence of quantum superpositions of mechanical position states depends only weakly on their spatial separation.

Finite Temperature Effects In Magnetic Materials: Model And Ab Initio Studies, Aleksander L. Wysocki

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

The understanding of finite temperature behavior of magnetic materials is of vital importance for spintronic applications. In this dissertation different theoretical techniques for studying magnetic thermodynamics of various materials are discussed. Cr₂O₃ is an antiferromagnetic insulator that was proposed to be a key component of new spintronic devices. The magnetic properties of Cr₂O₃ were studied using the LDA+U method. Magnetism was found to be very well described by the Heisenberg model. Subsequently, magnetic thermodynamics was explored using quantum pair cluster approximation. Overall, very good agreement with experiment was found for the ground state and …

How Much Can Guided Modes Enhance Absorption In Thin Solar Cells?, Peter N. Saeta, Vivian E. Ferry, Domenico Pacifici, Jeremy N. Munday, Harry A. Atwater

All HMC Faculty Publications and Research

Absorption enhancement in thin metal-backed solar cells caused by dipole scatterers embedded in the absorbing layer is studied using a semi-analytical approach. The method accounts for changes in the radiation rate produced by layers above and below the dipole, and treats incoherently the subsequent scattering of light in guided modes from other dipoles. We find large absorption enhancements for strongly coupled dipoles, exceeding the ergodic limit in some configurations involving lossless dipoles. An antireflection-coated 100-nm layer of a-Si:H on Ag absorbs up to 87% of incident above-gap light. Thin layers of both strong and weak absorbers show similar strongly enhanced …

Exchange Bias Training Effect In Magnetically Coupled Bilayers, Srinivas Polisetty

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

Interfaces in magnetically coupled bilayer heterostructures play a vital role in novel spintronics devices. Particularly, control of the interface spin structure enables the development of progressively down-scalable magnetic read-heads which are of major importance for non volatile magnetic recording media. Exchange bias and its accompanying training effect are fundamental magnetic coupling phenomena taking place at the interfaces of antiferromagnetic/ferromagnetic and hard/soft ferromagnetic bilayers. Here, in my thesis I present the experimental results of exchange bias training in the prototypical antiferromagnetic/ferromagnetic exchange bias system CoO/Co and the corresponding coupling and aging phenomena in the all ferromagnetic hard/soft bilayer CoPtCrB/CoCr. The latter …

Electronic Transport Properties Of A Tilted Graphene P-N Junction, Tony Low, Joerg Appenzeller

Birck and NCN Publications

Spatial manipulation of current flow in graphene could be achieved through the use of a tilted p-n junction. We show through numerical simulation that a pseudo-Hall effect (i.e., nonequilibrium charge and current density accumulating along one of the sides of a graphene ribbon) can be observed under these conditions. The tilt angle and the p-n transition length are two key parameters in tuning the strength of this effect. This phenomenon can be explained using classical trajectory via ray analysis, and is therefore relatively robust against disorder. Lastly, we propose and simulate a three terminal device that allows direct experimental access …

Nanoscale Domain Patterns In Ultrathin Polymer Ferroelectric Films, Pankaj Sharma, Timothy J. Reece, Daniel W. Wu, Vladimir M. Fridkin, Stephen Ducharme, Alexei Gruverman

Stephen Ducharme Publications

High-resolution studies of domain configurations in Langmuir–Blodgett films of ferroelectric polymer poly(vinylidene fluoride-trifluoroethylene), P(VDF-TrFE), have been carried out by means of piezoresponse force microscopy (PFM). Changes in film thickness and morphology cause significant variations in polarization patterns. In continuous films and nanomesas with relatively low thickness/grain aspect ratio (<1/10), the relationship between the average domain size and thickness follows the Kittel law. Nanomesas with high aspect ratio (>1/5) exhibit significant deviations from this law, suggesting additional surface-energy-related mechanisms affecting the domain patterns. Polarization reversal within a single crystallite has been demonstrated and local switching parameters (coercive voltage and remnant piezoresponse) have been measured by monitoring the local hysteresis loops. Reliable control of polarization at the sub-grain level demonstrates …

Optimal Site-Centered Electronic Structure Basis Set From A Displaced-Center Expansion: Improved Results Via A Priori Estimates Of Saddle Points In The Density, Aftab Alam, Duane D. Johnson

Duane D. Johnson

Site-centered, electronic-structure methods use an expansion inside nonoverlapping “muffin-tin” (MT) spheres plus an interstitial basis set. As the boundary separating the more spherical from nonspherical density between atoms, the “saddle-point” radii (SPR) in the density provide an optimal spherical region for expanding in spherical harmonics, as used in augmented plane wave, muffin-tin orbital, and multiple-scattering [Korringa, Kohn, and Rostoker (KKR)] methods. These MT-SPR guarantee unique, convex Voronoi polyhedra at each site, in distinction to Bader topological cells. We present a numerically fast, two-center expansion to find SPR a priori from overlapping atomic charge densities, valid also for disordered alloys. We …

Dielectric Nanocomposites: An Inside-Out Approach To Storing Electrostatic Energy, Stephen Ducharme

Stephen Ducharme Publications

The ability to achieve high-energy densities is the central challenge in energy storage and recovery. A promising strategy for increasing energy storage is to use highperformance dielectric materials, such as highly polarizable nanoparticles or polymers, or nanocomposites of the two. In this issue, Kim et al. use a molecular coating and clever chemistry to combine oxide nanoparticles with a polymer matrix, thereby producing an improved nanocomposite dielectric. Some advantages and challenges of using nanocomposites as improved dielectric materials are presented in this Perspective.

Magnetoelectric Effect At The Srruo3/Batio3 (001) Interface: An Ab Initio Study, Manish K. Niranjan, John D. Burton, Julian P. Velev, Sitaram Jaswal, Evgeny Y. Tsymbal

Evgeny Tsymbal Publications

Ferromagnet/ferroelectric interface materials have emerged as structures with strong magnetoelectric coupling that may exist due to unconventional physical mechanisms. Here we present a first-principles study of the magnetoelectric effect at the ferromagnet/ferroelectric SrRuO3 /BaTiO3 (001) interface. We find that the exchange splitting of the spin-polarized band structure, and therefore the magnetization, at the interface can be altered substantially by reversal of the ferroelectric polarization in the BaTiO3. These magnetoelectric effects originate from the screening of polarization charges at the SrRuO3 /BaTiO3 interface and are consistent with the Stoner model for itinerant magnetism.

The Dynamics Of Energy And Charge Transfer In Low And Hyperthermal Energy Ion-Solid Interactions, Matthew Ray

All Dissertations

The energy and charge transfer dynamics for low and hyperthermal energy (10 eV to 2 keV) alkali and noble gas ions impacting noble metals as a function of incident energy, species and scattering geometry has been studied. The experiments were performed in an ultra-high vacuum scattering chamber attached to a low and hyperthermal energy beamline.
The energy transfer was measured for K+ scattered from a Ag(001) surface along the [110] crystalline direction at a fixed laboratory angle of 90°. It was found that as the incident energy is reduced from 100 to 10 eV, the normalized scattered energy increased. Previous …

Effect Of Cosb3 Nanoparticles On The Thermoelectric Properties Of Filled And Unfilled Cosb3 Skutterudites, Paola Alboni

All Dissertations

This study explores the possibility of somewhat decoupling the electrical and thermal conduction, thereby being able to limit the thermal conduction while minimizing the effect on the electrical conduction. The approach is using a nanoparticle layer with a slight compositional mismatch as compared to the bulk skutterudite. A hydrothermal nanoparticle-plating technique has been employed to grow a layer of CoSb₃ nanoparticles on the surface of skutterudite bulk matrix grains. Skutterudites of various forms were fabricated and studied in order to assess the effect of this nano-plated layer as a viable method in the improvement of thermoelectric properties of CoSb …

Tunneling Electroresistance In Ferroelectric Tunnel Junctions With A Composite Barrier, M. Ye. Zhuravlev, Yong Wang, S. Maekawa, Evgeny Y. Tsymbal

Evgeny Tsymbal Publications

Tunneling electroresistance (TER) effect is the change in the electrical resistance of a ferroelectric tunnel junction (FTJ) associated with polarization reversal in the ferroelectric barrier layer. Here we predict that a FTJ with a composite barrier that combines a functional ferroelectric film and a thin layer of a nonpolar dielectric can exhibit a significantly enhanced TER. Due to the change in the electrostatic potential with polarization reversal, the nonpolar dielectric barrier acts as a switch that changes its barrier height from a low to high value. The predicted values of TER are giant and indicate that the resistance of the …

Surface Geometry Of C60 On Ag(111), H. I. Li, K. Pussi, K. J. Hanna, Lin-Lin Wang, Duane D. Johnson, H.-P. Cheng, H. Shin, S. Curtarolo, W. Moritz, J. A. Smerdon, R. Mcgrath, R. D. Diehl

Duane D. Johnson

The geometry of adsorbed C60 influences its collective properties. We report the first dynamical low-energy electron diffraction study to determine the geometry of a C60 monolayer, Ag(111)−(23√×23√)30°−C60, and related density functional theory calculations. The stable monolayer has C60 molecules in vacancies that result from the displacement of surface atoms. C60 bonds with hexagons down, with their mirror planes parallel to that of the substrate. The results indicate that vacancy structures are the rule rather than the exception for C60 monolayers on close-packed metal surfaces.

Charge Transfer Assisted By Collective H-Bonding Network Dynamics, Omar F. Mohammed, Christina M. Othon, Oh-Hoon Kwon, Ahmed H. Zewail

Christina M Othon

Although there have been numerous studies of solvation, the role of solvent specific and collective interactions, especially for charge-transfer processes, remains difficult to unravel. Here, we report, using femtosecond fluorescence up-conversion and steady-state spectroscopic measurements, studies of well-designed single-sited formylperylene (FPe) in binary solvents. One of the solvents (methanol, MOH) can selectively hydrogen (H) bond to the carbonyl (C=O) site, while the other (acetonitrile, ACN) cannot, but both have similar polarity ( for MOH and for ACN). The results reveal that ultrafast charge transfer from the perylene unit to the carbonyl group of FPe is facilitated by site-specific H-bonding interactions …

Peeling Adhesive Tape Emits Electromagnetic Radiation At Terahertz Frequencies, J. Horvat, R. A. Lewis

Faculty of Engineering - Papers (Archive)

An unusual concept for a simple and inexpensive terahertz source is presented: unpeeling adhesive tape. The observed spectrum of this terahertz radiation exhibits a peak at 2 THz and a broader peak at 18 THz. The radiation is not polarized. The mechanism of terahertz radiation is tribocharging of the adhesive tape and subsequent discharge, possibly bremsstrahlung with absorption or energy density focusing during the dielectric breakdown of a gas. The accompanying optical emission is also a consequence of tribocharging.

Polarization Switching Kinetics Of Ferroelectric Nanomesas Of Vinylidene Fluoride-Trifluoroethylene Copolymer, R. V. Gaynutdinov, O. A. Lysova, S. G. Yudin, A. L. Tolstikhina, A. L. Kholkin, V. M. Fridkin, Stephen Ducharme

Stephen Ducharme Publications

The polarization switching kinetics of ferroelectric polymer nanomesas was investigated using piezoresponse force microscopy. The nanomesas were made by self-organization from Langmuir–Blodgett films of a 70% vinylidene fluoride and 30% trifluoroethylene copolymer. The polarization switching time exhibits an exponential dependence on reciprocal voltage that is consistent with nucleation-type switching dynamics.

Quantitative Prediction Of Twinning Stress In Fcc Alloys: Application To Cu-Al, Sandeep A. Kibey, Lin-Lin Wang, J. B. Liu, H. T. Johnson, H. Sehitoglu, Duane D. Johnson

Duane D. Johnson

Twinning is one of most prevalent deformation mechanisms in materials. Having established a quantitative theory to predict onset twinning stress τcrit in fcc elemental metals from their generalized planar-fault-energy (GPFE) surface, we exemplify its use in alloys where the Suzuki effect (i.e., solute energetically favors residing at and near planar faults) is operative; specifically, we apply it in Cu-xAl (x is 0, 5, and 8.3 at. %) in comparison with experimental data. We compute the GPFE via density-functional theory, and we predict the solute dependence of the GPFE and τcrit, in agreement with measured values. We show that τcrit correlates …

Solvation In Protein (Un)Folding: Effect Of Local And Bulk Dynamics In The Melittin Tetramer-Monomer Transition, Christina M. Othon, Oh-Hoon Kwon, Milo M. Lin, Ahmed H. Zewail

Christina M Othon

Protein structural integrity and flexibility are intimately tied to solvation. Here we examine the effect that changes in bulk and local solvent properties have on protein structure and stability. We observe the change in solvation of an unfolding of the protein model, melittin, in the presence of a denaturant, trifluoroethanol. The peptide system displays a well defined transition in that the tetramer unfolds without disrupting the secondary or tertiary structure. In the absence of local structural perturbation, we are able to reveal exclusively the role of solvation dynamics in protein structure stabilization and the (un)folding pathway. A sudden retardation in …

Electrostatic Discharge In Spacecraft Materials, Jennifer Roth, Jr Dennison, Ryan C. Hoffman, David Peak

Senior Theses and Projects

Understanding the characteristics of electron beam bombardment that induce electrostatic discharge (ESD) of insulating materials is crucial to constructing an electrically stable spacecraft. A measurement system has been designed to determine the beam energy and charge flux densities at which typical spacecraft materials intended for the James Webb Space Telescope (JWST) undergo ESD. Because discharge events occur over time intervals ranging from nanoseconds to minutes, multiple detection methods were employed as charge was accumulated on a sample surface; these methods included monitoring of sample current and optical emissions from the sample surface. Each sample was also examined with optical microscopy …

Modeling Of Compositionally Graded Barium Strontium Titanate From First Principles, Laura Elizabeth Walizer

Graduate Theses and Dissertations

"Barium Strontium Titanate (BaxSr1-xTiO3 or BST) is a Perovskite alloy of interest for both technological and intellectual reasons. Its ferroelectric and piezoelectric properties make it useful in a variety of electric components such as transducers and actuators, and BST in particular is a material of interest for the development of a ferroelectric RAM for computers. The inclusion of SrTiO3, an incipient ferroelectric, and the fact that the properties of a BST system depend strongly on its relative composition of BaTiO3 and SrTiO3 (ST), make also this a material of high interest. Compositionally graded systems are of further interest , partly …

Exchange Coupling At Cobalt/ Nickel Oxide Interfaces, Andrew G. Baruth

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

Spin arrangement at interfaces in layered magnetic materials is of vital importance to the emerging field of spintronics. Knowledge of how and why the interfacial spins behave in a certain way will aid in the development of future magnetic-based memories.

Much exploration has taken place in the interlayer exchange coupling (IEC) of ferromagnetic heterostructures with in-plane anisotropy. Only recently has it become apparent that to achieve the goals of increased areal density in magnetic memory a push for exploring magnetic materials with perpendicular magnetic anisotropy (PMA) must occur. An interesting and promising candidate for such a magnetic system is [Co/Pt]/NiO/[Co/Pt], …

Bcc-To-Hcp Transformation Pathways For Iron Versus Hydrostatic Pressure: Coupled Shuffle And Shear Modes, J. B. Liu, Duane D. Johnson

Duane D. Johnson

Using density-functional theory, we calculate the potential-energy surface (PES), minimum-energy pathway (MEP), and transition state (TS) versus hydrostatic pressure σhyd for the reconstructive transformation in Fe from body-centered cubic (bcc) to hexagonal closed-packed (hcp). At fixed σhyd, the PES is described by coupled shear (ϵ) and shuffle (η) modes and is determined from structurally minimized hcp-bcc energy differences at a set of (η,ϵ). We fit the PES using symmetry-adapted polynomials, permitting the MEP to be found analytically. The MEP is continuous and fully explains the transformation and its associated magnetization and volume discontinuity at TS. We show that σhyd (while …

Emergence Of The Persistent Spin Helix In Semiconductor Quantum Wells, J. D. Koralek, Christopher P. Weber, J. Orenstein, B. Andrei Bernevig, Shou-Cheng Zhang, S. Mack, D. D. Awschalom

Physics

According to Noether’s theorem¹, for every symmetry in nature there is a corresponding conservation law. For example, invariance with respect to spatial translation corresponds to conservation of momentum. In another well-known example, invariance with respect to rotation of the electron’s spin, or SU(2) symmetry, leads to conservation of spin polarization. For electrons in a solid, this symmetry is ordinarily broken by spin–orbit coupling, allowing spin angular momentum to flow to orbital angular momentum. However, it has recently been predicted that SU(2) can be achieved in a two-dimensional electron gas, despite the presence of spin–orbit coupling². The …

Quantum Nature Of Two-Dimensional Electron Gas Confinement At Laalo3=Srtio3 Interfaces, Karolina Janicka, Julian P. Velev, Evgeny Y. Tsymbal

Evgeny Tsymbal Publications

We perform density functional calculations to understand the mechanism controlling the confinement width of the two-dimensional electron gas (2DEG) at LaAlO₃/SrTiO₃ interfaces. We find that the 2DEG confinement can be explained by the formation of metal induced gap states (MIGS) in the band gap of SrTiO₃. These states are formed as the result of quantum-mechanical tunneling of the charge created at the interface due to electronic reconstruction. The attenuation length of the MIGS into the insulator is controlled by the lowest-decay-rate evanescent states of SrTiO₃, as determined by its complex band structure. Our …

True-Time Delay Steering Of Phased Array Radars Using Slow Light, Mark Bashkansky, Zachary Dutton, Armen Gulian, David Walker, Fredrik Fatemi, Michael Steiner

Mathematics, Physics, and Computer Science Faculty Articles and Research

Application of slow light linear delay to squint-free (true-time delay) steering of phased array radar antennae is discussed. Theoretical analysis is provided on true-time delay radar requirements, including delay precision, amplitude precision, and bandwidth. We also discuss an improvement to the slow light technique based on stimulated Brillouin scattering by using a Faraday rotator mirror that provides temporally stable, linear (with pump power) delay, applicable to practical implementations. Future directions are considered.