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 20 of 71 for “"Band structures"”.
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Engineering Band Structures in Correlated Oxides
… structure depends on N. We found the valence band structure systematically changes, as N decreases, from bulk like band gaps to interface modified band gaps. The temperature dependence of the derived Mn Jahn-Teller/Mott gap in large period superlattices is completely different from the small …
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Correlated Hartree-Fock band structures for transition metals
… with good metallic behavior. Hartree-Fock energy band structures employing nonlocal exchange are reported for paramagnetic and ferromagnetic nickel, palladium, and palladium hydride, and an approximate correlation correction scheme is shown to yield encouraging results. The resulting nickel band …
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Electronic band structures for normal and high pressure phases of II-VI compounds
Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-16T14:51:46Z No. of bitstreams: 1 1982_boettger.pdf: 4204271 bytes, checksum: dee343abaff59524a746e9ec4a9a6855 (MD5)
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Topics in the Theory of Semiconductors: I. Novel Semiconductors. II. Uniaxial Stress Dependence of Deep Impurities
… 1, 2 and 3 deal with the electronic energy band structures of novel semiconductors and chapter 4 deals with the uniaxial stress dependence of deep substitutional impurity levels in semiconductors.
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Noble-metal quantum well structures: A theoretical and experimental study
… systems, in particular magnetic multilayer structures, for both technological and scientific reasons. Since the growth properties and band structures for these systems are, in general, quite complicated, most current research is directed at understanding these systems at a very basic level. …
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Interplay between chemical bonding, band structure and charge transport in thermoelectric chalcogenides
… properties have been attributed to complex band structures and intrinsically low lattice thermal conductivities. The present dissertation aims at establishing a novel approach to identify chalcogenides suitable for thermoelectric applications. The work starts by inferring a correlation …
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Band topology beyond symmetry eigenvalues with applications to electronic and phononic systems
… are hidden in the electronic and phononic band structures, and how robust these properties are. We describe various new kinds of band topology, which emerge when comparing different ways of classifying topology. The dissertation begins by introducing some common topological classification …
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Computational Approaches to Silicon-Based Nanostructures
Finally, a full-band approach for the solution of Schrodinger's equation based on Fast Fourier Transforms is described. Using this simulation method, it becomes possible to solve Schrodinger's equation in the one band approximation for arbitrary band structures, putting a more complete description …
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Interlayer exchange coupling in magnetic multilayers
… electrons. The other is based on spin-dependent band structures for ferromagnetic materials, which is suitable for transition metals.
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Electronic, optical, and lattice properties of superlattices and heterostructures
… function model, we have calculated the valence band structures in quantum wells and superlattices. It is found that the valence bands exhibit very complicated structures. With the newly devised method and the aid of the CRAY supercomputer, we have been able to calculate the optical absorption …
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An SEGF study of the Rh(001) surface.
… with other theoretical work. Additionally, bulk band structures have been calculated, and the projected bulk band structure has been constructed. Densities of states have also been calculated in order to identify surface states and surface resonances. In addition to a contour plot of the total …
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Surface studies of group IV-VI layered crystals
… a 2ao x 2ao surface superlattice. The electronic band structures for TiS2e and TiS2 have been investigated by angle resolved photoemission spectroscopy. Excitation is provided by He I (21.2 eV) and He II (40.8 eV) ultraviolet radiation. The results indicate that TiSe2 a semimetal with a band …
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NANOPATTERNING OF FREE-STANDING VAN DER WAALS HETEROSTRUCTURES USING CHARGED PARTICLES
… dichalcogenides (TMDs) enables one-dimensional structures with tunable band structures, offering new opportunities in nanophotonics and optoelectronics. However, achieving such confinement with high spatial and depth resolution in stacked van der Waals heterostructures remains challenging. In …
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Electronic and Optical Properties of Self-Assembled Quantum Wires
We have studied the band and optical properties of self-assembled quantum wires. In particular, the band structures and optical matrix elements of strained multiple quantumwires (QWR's) are investigated theoretically via the effective bond-orbital model(EBOM), which takes into account the effects …
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Tailoring charge to spin conversion in novel materials for efficient spintronics
… This thesis explores materials with nontrivial band structures as potential active spintronics materials and explores a novel method of tunable spin-to-charge conversion, which will provide extra flexibility in spintronics device design. First, we show the successful modulation of charge-spin …
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Electrical, electronic and optical properties of MoSe2 and WSe2
… Monolayer MoSe_2 and WSe_2 have an intrinsic band-gap in the visible region of the solar spectrum (400nm - 700nm) which makes them distinct from other 2-D materials like graphene. In this study, the electrical, electronic and optical properties of monolayer and bulk MoSe_2 and WSe_2 are …
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The rise and fall of structure in physics : polaritonic photonic crystals, melting, and min-protein oscillations
… media, focusing on the unique features of the band structures and Bloch states in dispersive media with and without losses. I discuss three novel localization phenomena in these structures: node switching, flux expulsion, and negative effective permeability. Second, I examine the importance of …
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Exploring Optoelectronic Properties of Twisted and Intercalated Niobium Oxide Dihalides
… However, 2D materials can exhibit tunable band structures that yield the optimal optical response, even post-fabrication. This thesis will discuss the properties of mechanically and chemically manipulated niobium oxydichloride (NbOCl₂) and niobium oxydiiodide (NbOI₂) ultrathin structures …
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Theoretical studies on organic semiconductors
… orbitals in the calculations of energy band structures hasbeen assessed; and a procedure, based on a simple configuration -interaction treatment, has been developed for the consideration ofthe effects of band - band interactions in those crystals whereinthe molecular energy levels, which …
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Electronic band structure variations in photothermal catalytic materials
… and their interfaces. Yet, the electronic band structure of many of these materials under thermal expansion is under explored. In this study we calculate the electronic structures of a select group of sulfide semiconductors and their lattice thermal expansions, focusing on key parameters …
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