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dc.contributor.advisorLikharev, Konstantin Ken_US
dc.contributor.authorSimonian, Nikitaen_US
dc.contributor.otherDepartment of Physicsen_US
dc.date.accessioned2013-05-22T17:35:35Z
dc.date.available2013-05-22T17:35:35Z
dc.date.issued1-Dec-12en_US
dc.date.submitted12-Decen_US
dc.identifierSimonian_grad.sunysb_0771E_11242en_US
dc.identifier.urihttp://hdl.handle.net/1951/59862
dc.description121 pg.en_US
dc.description.abstractThis work presents a study of molecular single-electron devices that may be used as the basic building blocks in high-density resistive memories and hybrid CMOS/nanoelectronic integrated circuits. It was focused on the design and simulation of a molecular two-terminal nonvolatile resistive switch based on a system of two linear, parallel, electrostatically-coupled molecules: one implementing a single electron transistor and another serving as a single-electron trap. To verify the design, a theoretical analysis of this "memristive" device has been carried out, based on a combination of ab-initio calculations of the electronic structures of the molecules, Bardeen's approximation for the rate of tunneling due to wavefunction overlap between source/drain electrodes and the molecular device, and the general theory of single-electron tunneling in systems with discrete energy spectra. The results show that such molecular assemblies, with a length below 10 nm and a footprint area of about 5 nm^2, may combine sub-second switching times with multi-year retention times and high (> 10^3) ON/OFF current ratios, at room temperature. Moreover, Monte Carlo simulations of self-assembled monolayers (SAM) based on such molecular assemblies have shown that such monolayers may also be used as resistive switches, with comparable characteristics and, in addition, be highly tolerant to defects and stray offset charges. An important and unexpected finding in this work is that the simulated I-V curves in a few molecular junctions exhibit negative differential resistance (NDR) with the origin so fundamental, that the effect should be observed in most molecular junctions where the sequential single-electron transfer limit is valid. Another important by-product of this work is a more complete understanding of some shortcomings of the existing density functional theory approximations, including their advanced versions such as the ASIC method.en_US
dc.description.sponsorshipStony Brook University Libraries. SBU Graduate School in Department of Physics. Charles Taber (Dean of Graduate School).en_US
dc.formatElectronic Resourceen_US
dc.language.isoen_USen_US
dc.publisherThe Graduate School, Stony Brook University: Stony Brook, NY.en_US
dc.subject.lcshPhysics--Nanotechnologyen_US
dc.subject.otherab-initio calculations, DFT, molecular device, nonvolatile memory, resistive switch, Single-electronicsen_US
dc.titleDesign and Simulation of Single-Electron Molecular Devicesen_US
dc.typeDissertationen_US
dc.description.advisorAdvisor(s): Likharev, Konstantin K. Committee Member(s): Allen, Philip B; Fernandez-Serra, Marivi ; Schneble, Dominik ; Mayr, Andreas ;en_US
dc.mimetypeApplication/PDFen_US


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