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Showing 1 to 14 of 14 for “"band structure calculations"”.
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Structural, magnetic and electric transport properties of metal substituted La₀.₇Sr₀.₃MnO₃
… resistivity, and in addition for Cu, theoretical band structure calculations. These abnormal behaviors relative to the parent manganite perovskite are explained by the competition between the double exchange and super exchange interactions, local John-Teller distortion, the dilution of magnetic …
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Besetzte und unbesetzte elektronische Struktur von geordneten Dünnschichtverbindungen der Seltenen Erden Eu und Yb mit den Übergangsmetallen Pd und Ni
… LEED experiments reveal the formation of a AuCu3 structure with a (111) surface orientation for RE/Pd systems, while the formation of a CaCu5-structure with (0001) surface orientation for the Ba/Pd and Eu/Ni compounds was found. The Eu compounds show a surface-valence transition from the trivalent …
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Developing spectroscopic ellipsometry to study II-VI and diluted magnetic semiconductors
… and nonmagnetic doping on the £1 and £1 + .11 band gap energies in ZnSe-based II-VI semiconductors. To remove the natural surface oxide overlayer which distorts the intrinsic dielectric response of the sample, a chemical etching technique using dilute NI40H solution was developed. The …
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Electronic band structure of III-V quantum dots using tight-binding and the k.p approximation
"Quantum dot nanostructures incorporate unique mechanical and electronic properties that dictate their use in numerous applications such as photovoltaics, LED's, and quantum computing. The \textbf{k}{$\cdot$}\textbf{p} approximation and O(N) moments based tight-binding model for electronic band …
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The study of many-electron systems
… incorporating parameters obtained from ab initio band structure calculations. It yields good agreement with experimental data. For the Anderson lattice model, a variational scheme which uses specific many-electron wavefunctions as basis is applied to both one- and two-dimensional systems …
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Modeling of electroluminescence in InSb quantum wells and inversion asymmetric effects
… character. We have described in detail the eight band model within the envelope function approximation(EFA) using the Löwd in perturbation method used for band structure calculations. Although not novel, a detailed derivation of this is rarely done in the literature. We have derived a theoretical …
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Crystal structure, electron density and chemical bonding in inorganic compounds studied by the Electric Field Gradient
… approach are the so-called first-principles calculations, which are based on the concept of density functional theory (DFT). In order to test the reliability of a band structure calculation, its results have to be compared with experiments. Since the electron density, the main constituent of …
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Computational electronic structure studies of novel condensed matter phases
… computing tools to perform electronic structure investigations of novel crystalline materials synthesized, some for the very first time, in the group. My placement in the experimentally-focused Jain group afforded multiple opportunities in which the discoveries of my fellow group …
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A nanoscale probe of the quasiparticle band structure for two dimensional electron systems
… microscopy (MR-STM) as a robust nanoscale band structure probe, and reconstruct the multi-component dispersion of Sb(111) surface states. We quantify surface state parameters relevant to spintronics applications, and clarify the relationship between bulk conductivity and surface state …
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Phase coherent transport phenomena in HgTe quantum well structures
… experiments with mercury based quantum well structures. This narrow gap material provides a very good template to study spin related effects. It exhibits large Zeeman spin splitting and Rashba spin-orbit splitting. The latter is at least four to five times larger than in III-V semiconductors. …
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Non-equilibrium spin accumulation in Co2FeMnSi/n-GaAs heterostructures
… spin accumulation in ferromagnet/n-GaAs heterostructures. This work naturally separates into two main topics: the first is the study of the non-equilibrium electron spin accumulation which is generated electrically by passing a current across the ferromagnet/GaAs interface; the second is the …
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Electronic, thermoelectric and optical properties of vanadium oxides: VO2, V2O3 and V2O5
… have performed one electron Kohn-Sham electronic band-structure calculations of VO_3, V_3O_3 and V_2O_5 in both metallic and insulating phases, implementing a full ab-initio simulation package based on Density Functional Theory (DFT), Plane Waves and Pseudopotentials (PPs). Electronic band …
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Untersuchung der elektronischen Struktur quasi-zweidimensionaler Einlagerungsverbindungen
… Daten wurden mit Ergebnissen von LDA-LCAO-Bandstrukturrechnungen und Simulationen im Rahmen eines Single-Impurity-Anderson-Modells verglichen. Neben dem Einfluß unterschiedlicher Valenzelektronen der interkalierten Atome auf den Einlagerungsprozeß werden Fragen zum Lokalisierungsverhalten …