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 24 for “"NEGF"”.
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Full-band NEGF Modeling of Optoelectronic Devices
L'abstract è presente nell'allegato / the abstract is in the attachment
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Real time density functional simulations of quantum scale conductance
… steady-state nonequilibrium Green's function (NEGF) method. We start by examining quantum scale conductance methods in both the steady state and real-time formulations followed by a review of computational quantum chemistry methods. We then develop the real-time density functional theory and …
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Non-equilibrium Green's function study of transport in disordered double-layer graphene systems
… using the non-equilibrium Green's function (NEGF) formalism. The complexity of such a structure makes it imperative to study the effects of lattice vacancies which will inevitably arise during fabrication. Room-temperature performance characteristics for both ideal and disordered bilayer …
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Electron-phonon interactions in double layer graphene superfluids
… We use the non- equilibrium Green’s function (NEGF) formalism to examine the effect that carrier-phonon scattering has on transport in such a device. The simulations show that the effect of carrier-phonon scattering has a strong dependence on the device coherence length, the maximum distance …
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Correlated electron transport across atomic and molecular tunnel junctions
… with a single particle approximation such as NEGF+DFT non-equilibrium Green’s function plus density functional theory. Typical single particle treatments are incomplete due to approximations made in the treatment of the electronic structure leading to discrepancies between theory and …
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Theory of carrier transport in III-Nitride based heterostructures
… the non-equilibrium Green's function (NEGF) formalism has been employed to study ballistic transport in a fully quantum mechanical setting. This builds on a tight-binding description of the electronic structure which ensures an atomistic description of the alloy is achieved. Our results …
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Theory of terahertz intervalence band polaritons and antipolaritons.
… Non Equilibrium Many Body Green's Functions (NEGF), which is then adjusted to a Lorentzian fit. Finally, the resulting expression is included in the wave equation describing the propagating electric field in the medium. This model is applied to GaAs/Al[0.3]Ga[0.7]As multiple quantum wells …
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Flow of Entropy in Equilibrium and Non-Equilibrium Quantum Systems
… use of Non-Equilibrium Green's Function theory (NEGF). Thorough exploration and verification of the self-consistency of these formulas and their interpretation is made. An analysis of Joule heating in an exactly solvable model of a quantum wire is performed using the proposed unitary formula. It …
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AI-Driven Discovery and Multiscale Computational Frameworks for Carbon-Based Materials
… coupled with non-equilibrium Green’s function (NEGF) formalism to quantify key molecular junctions for electron transport. Together, these studies unify porous, sp2, and hybrid carbon materials within a coherent methodological and conceptual framework. By combining forward generative design, …
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Computational study of graphene nanopore sensor for DNA sensing
… ism with Non-Equilibrium Green's Function (NEGF) technique along with charge densities of DNA arising from MD simulations to show detection of rotational and positional conformation of a double-stranded DNA (dsDNA), inside the nanopore, via sheet currents in graphene nanoribbons. …
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Uniaxial Strain Effect on Graphene-Nanoribbon Resonant Tunneling Transistors
… method and the nonequilibrium Green function (NEGF) formalism, the electronic transport characteristics of a RTT is calculated. In this work, we focus on how the strain affects the current-voltage characteristics of AGNR/hBN RTT.
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AB initio study and design of 2D materials/III-nitrides-based post-CMOS devices using first-principles multiphysics simulation framework
… (DFT) and non-equilibrium Green's function (NEGF) method. To start with, we provide a systematic and theoretical DFT study of the electronic properties of a large number of impurities, vacancies, and adatoms in monolayer MoS2, including groups III and IV dopants, as well as magnetic …
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Modeling of photocurrent spectra induced by nonlinear absorption in high-indium-content iii-nitride disk-in-wire photodiode
… by using non-equilibrium Green's function (NEGF). As for the quantum disk-in-wire photodiode, we developed a band structure calculation method based on an effective bond-orbital model (EBOM). The model is incorporated with the transport model to investigate the photocurrent spectrum in the …
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Physical Modeling of Graphene Nanoribbon Field Effect Transistor Using Non-Equilibrium Green Function Approach for Integrated Circuit Design
… within the non-equilibrium Green’s function (NEGF) formalism. The quantum transport model fully treats short channel-length electrostatic effects and the quantum tunneling effects, leading to the technology exploration of graphene nanoribbon field effect transistors (GNRFETs) for the future. A …
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NANOSCALE EFFECTS IN JUNCTIONLESS FIELD EFFECT TRANSISTORS
… potential scheme and benchmarked against the NEGF approach in the ballistic limit. To study the RDF effects and treat full Coulomb (electron-ion and electron-electron) interactions in the real-space and beyond the Poisson picture, the simulator implements a corrected-Coulomb electron dynamics …
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Advanced III-V / Si nano-scale transistors and contacts: Modeling and analysis
… that solves non-equilibrium Green's functions (NEGF) transport and Poisson equations self-consistently within a real-space effective mass approximation. The sp3d5s<sup>* </sup>empirical tight-binding method is employed to include non-parabolicity to obtain more accurate effective masses in …
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Sequence and structural effects on molecular conductance of bioinspired peptoid oligomers
… Green’s function–density functional theory (NEGF-DFT) formalism, and the results show reasonable qualitative agreement with experiments. Overall, these results reveal new insights into structure-function relationships describing electron transport in peptoid-based electronic materials. In …
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MODELING QUANTUM AND COULOMB EFFECTS IN NANOSCALE ENHANCEMENT-MODE TRI-GATE III-V MOSFETs
… potential scheme and benchmarked against the NEGF approach in the ballistic limit. To study the RDF effects and treat full Coulomb (electron-ion and electron-electron) interactions in the real-space and beyond the Poisson picture, the simulator implements a corrected Coulomb electron dynamics …
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Atomistic and mesoscopic simulations of heat transfer across heterogeneous material interfaces
… to the non-equilibrium Green's function (NEGF) method used in quantum transport calculations of electrons. We propose the use of Büttiker probe scattering models to develop a phenomenological but computationally efficient description of phonon-phonon and electron-phonon scattering within …
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Physics-based modeling of 850 nm Tunnel Junction VCSELs
L'abstract è presente nell'allegato / the abstract is in the attachment
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