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Nanoscale structure and transport : from atoms to devices

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dc.contributor.advisor John D. Joannopoulos. en_US Evans, Matthew Hiram en_US
dc.contributor.other Massachusetts Institute of Technology. Dept. of Physics. en_US 2006-03-29T18:31:48Z 2006-03-29T18:31:48Z 2005 en_US 2005 en_US
dc.description Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 2005. en_US
dc.description Includes bibliographical references (p. 145-159). en_US
dc.description.abstract Nanoscale structures present both unique physics and unique theoretical challenges. Atomic-scale simulations can find novel nanostructures with desirable properties, but the search can be difficult if the wide range of possible structures is not well understood. Electrical response and other non-equilibrium transport phenomena are measured experimentally, but not always simulated accurately. This thesis presents four diverse applications that demonstrate how first-principles calculations can address these challenges. Novel boron nanotube structures with unusual elastic properties are presented. Internal degrees of freedom are identified that allow longitudinal stress to be dissipated without changing the tube's diameter, leading to high lateral stiffness. Self-trapped hole structures in amorphous silicon dioxide are investigated in order to connect the behavior of hole currents to atomic-scale structures. Calculations on a paired-oxygen analogue to the ... center show that such a configuration does not result in a metastable trapped-hole state. A novel method to enable first-principles mobility calculations in ultrathin silicon-on-insulator (UTSOI) structures is presented and applied to interface roughness scattering in transistor channels. Self-consistent potentials and accurate wavefunctions and band structures allow for a direct link between measured electrical response and atomic structure. Atomic-scale interface roughness is shown to be an important limit on mobility at high carrier densities. At low carrier densities, such short-wavelength roughness results in qualitatively different mobility behavior than gradual UTSOI channel thickness fluctuations. en_US
dc.description.abstract (cont.) An effective Hamiltonian technique to calculate short-time, non-equilibrium fluctuations in quantum devices is developed. Applications to quantum dots and resonant tunneling diodes show that temporal fluctuations are reproduced well. en_US
dc.description.statementofresponsibility by Matthew Hiram Evans. en_US
dc.format.extent 159 p. en_US
dc.format.extent 8972264 bytes
dc.format.extent 8981240 bytes
dc.format.mimetype application/pdf
dc.format.mimetype application/pdf
dc.language.iso eng en_US
dc.publisher Massachusetts Institute of Technology en_US
dc.rights M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission. en_US
dc.subject Physics. en_US
dc.title Nanoscale structure and transport : from atoms to devices en_US
dc.type Thesis en_US Ph.D. en_US
dc.contributor.department Massachusetts Institute of Technology. Dept. of Physics. en_US
dc.identifier.oclc 61345793 en_US

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