Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 17 of 17 for “"electron localization"”.
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Anderson Localization in Two-Channel Wires with Correlated Disorder: DNA as an Application
This research studied the Anderson localization of electrons in two-channel wires with correlated disorder and in DNA molecules. It involved an analytical calculation part where the formula for the inverse localization length for electron states in a two-channel wire is derived. It also involved a …
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Coupled electron and nuclear dynamics in model systems
… coupling on the dynamical changes of electron and nuclear density. The properties of electron density have neither been discussed in the stationary case, nor for excited electronic states or for a coupled electronic and nuclear motion. In order to remove these restrictions one must …
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Density Functional Theory Study of Rutile SiO₂ Stishovite: An Electron Pair Description of Bulk and Surface Properties
… density functional method. The geometric and electronic structure, including the density of states, charge density, and electron localization function for both the bulk and the surface have been examined. The electron pair properties of both bulk and surface-layer atoms were found to be …
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Correlation in the One Dimensional Electron Gas
… in our simulations. We find that decreasing the electron density drives the system from a liquid to a state with rather strong 4kF correlations. This crossover takes place around 22 microm-1, near the density where the electron localization occurs in the experiment. The charge and spin velocities …
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Measurements of magnetoresistance in amorphous alloys
… interacting and noninteracting three-dimensional electron gases in the presence of a disordered potential. Although neither localization nor Coulomb-interaction effects can be said to dominate completely the magnetoresistance of any sample, the electron interactions produce strong positive …
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Zigzag Phase Transition in Quantum Wires and Localization in the Inhomogeneous One-Dimensional Electron Gas
… physics of the interacting one-dimensional (1D) electron gas: the transition from one-dimensional to higher dimensional behavior, and the role of inhomogeneity. The interplay between interactions, reduced dimensionality, and inhomogeneity drives a rich variety of phenomena in mesoscopic physics. …
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Sources of noise in niobium-based superconducting quantum circuits
… defects in the crystal lattice give rise to electron localization which in turn traps spins with random orientations at the substrate/metal interface, again producing decoherence. My work studied the proposed noise mechanisms by using Molecular Beam Epitaxy to fabricate single-crystal …
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Dissociation dynamics of diatomic molecules in intense fields
… function of the pump-probe delay τ. Lastly, the electron localization is studied for long circularly polarized laser pulses. Chapter 5 covers the dissociation dynamics of O[subscript]2[superscript]+ in an IR laser field. The fragment KER spectra are analyzed as a function of the pump-probe delay …
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Multi-Photon Spectroscopic Studies of Molecule/Metal Interfaces and Graphene
… or atomic materials were investigated: (1) the electronic structure of molecule/metal interfaces and (2) nonlinear optical properties of graphene. For the case (1), two-photon photoemission (TPPE) using a femotosecond laser was employed to investigate occupied and unoccupied electronic states of …
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Nanoscale light-matter interaction of ultrathin materials
… extended lattice modes. 2. Landau‐quantized 2D electron gases in GaAs quantum wells under a few tesla perpendicular magnetic fields where the free‐electron Drude response transforms into discrete Landau‐levels, the quantum analogue of the classical cyclotron motion. 3. Transition‐metal …
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The 5-th element. A new high pressure high temperature allotrope
… the HP boron samples was confirmed by scanning electron and transmission electron microscopy and electron microprobe analysis. The structure of this HPHT boron polymorph was first unknown, but subsequently determined from our X-ray powder diffraction data and further refined using single-crystal …
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Energetics Calculation of {10-12} Twin Nucleation and Growth in Magnesium and Alloys using Density Functional Theory and Atomistic Simulation
… bonding between Mg and solute atoms in terms of electron distribution. The charge density distribution results indicate that the addition of alloying atoms can change the charge density surrounding the alloying atoms. Electrons are more localized around Al and Y atoms. However, they are more …
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A study of the crystal chemistry, electron density distributions, and hydrogen incorporation in the Al₂SiO₅ polymorphs
… a graphical representation of the localized electron probability density. Six distinct types of ELF isosurfaces were observed in the Al₂SiO₅ polymorphs resulting from differences in the geometry, coordination, and coordinated cation atomic number surrounding the oxygens within the crystal …
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Multiscale Modeling of Effects of Solute Segregation and Oxidation on Grain Boundary Strength in Ni and Fe Based Alloys
… chemical interactions are conducted using electron localization function, charge density map, partial density of states, and Bader charge analysis. The results suggest that the bond type and charge transfer between solutes and Ni atoms at GBs may play important roles on affecting the GB …
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Increased Proton Energies - Above the ~ 60 MeV Empirical Barrier, from High-Contrast High-Intensity Short-Pulse Laser-Interactions with Micro-Cone Targets
… of various intense radiation sources, i.e. electrons, X-rays, and ions. Of particular interest to this dissertation is the production of ion beams from solid targets. These ion beams are directly linked to the hot-electron production and transport inside the solid target (as simple as a …
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Rare-gas clusters in intense VUV laser fields
… developed. Much emphasis is put on localized electrons, those quasi-free electrons which localize about the ions and screen them. These electrons set a time scale, which is used to interpolate between the quantum, rate based description of photon absorption by bound electrons and the …
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The electron density : a bridge between exact quantum mechanics and fuzzy chemical concepts
… The valence concept distinguishes between electrons, which do not participate in chemical interactions (core electrons) and those, which do (single, double, triple bonds, lone-pair electrons, etc.). Additionally, individual electrons are assigned to atomic centers. The valence concept is of …