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Showing 1 to 14 of 14 for “"Non-equilibrium Green's Function"”.
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Study Of Quantum Transport In Nanoscale Structures Using Non-Equilibrium Green's Function Method
Submitted by Meng Tao (mengtao2@illinois.edu) on 2012-10-12T23:55:53Z No. of bitstreams: 1 Guan.pdf: 1480734 bytes, checksum: 0898fc6645e8cde3de79af582e5d4d0f (MD5)
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Non-equilibrium Green's function study of transport in disordered double-layer graphene systems
… graphene systems are investigated 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 …
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Flow of Entropy in Equilibrium and Non-Equilibrium Quantum Systems
… those of open quantum systems in and out of equilibrium. Simple and comprehensible formulas for global and local heat and entropy currents are proposed and interpreted through the use of Non-Equilibrium Green's Function theory (NEGF). Thorough exploration and verification of the …
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Computational study of graphene nanopore sensor for DNA sensing
… Poisson-Boltzmann formal- 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 …
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Extending the predictive power and scope of electronic structure theory and quantum transport
… Walter Kohn wrote his first article on Density Functional Theory, he could never have predicted its eventual impact on computational materials science. Almost 50 years after his original article, the field has seen tremendous improvement both in computer hardware and in software algorithms, and …
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Modeling of photocurrent spectra induced by nonlinear absorption in high-indium-content iii-nitride disk-in-wire photodiode
… the superlattice region in the TI-QCL 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 …
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Quantum transport theory of 3D time-reversal invariant topological insulators
… intensive methods to calculate observable, non-equilibrium transport dynamics of real-space topological systems, to propose and identify experimental signatures of topological behavior, and to connect interesting experimental observations to the underlying topological properties in normal, …
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Electron-phonon interactions in double layer graphene superfluids
… consider the scattering of charge carriers by phonons in each of the constituent graphene monolayers. 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 …
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Theoretical Modeling Of Electron Transport In Molecular Devices
… theoretical tools such as the equation of motion Green's function technique, non-equilibrium Green's functions and linear response theory to try to understand the physics underlying the electron transport processes in some of the systems mentioned above. In particular, we used an equation of …
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Measurement and Visualization of Electron Transfer at the Single Molecule Level
… linkers, using STM break-junction and non-equilibrium Green's function methods. The STM break-junction method utilizes repeatedly formed circuits where one or a few molecules are trapped between two electrodes, at least one of which has nanoscale dimensions. The statistical analysis of …
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Theoretical Study of Carbon-Based Materials and Their Applications in Nanoelectronics
… structure of the material, such as density functional theory, p-orbital tight-binding model and the Dirac equation model and utilizing the general non-equilibrium Green?s function approach to simulate the electron transport for device evaluations, with the inclusion of acoustic and optical …
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Atomistic and mesoscopic simulations of heat transfer across heterogeneous material interfaces
… techniques that enable spectrally-resolved phonon transport measurements at the nanoscale along with the development of high-fidelity simulation methods have provided a renewed interest in the fundamental physics of heat transfer across interfaces. Miniaturized electronic devices and …
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AB initio study and design of 2D materials/III-nitrides-based post-CMOS devices using first-principles multiphysics simulation framework
… multiphysics framework coupling density functional theory (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, …
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Physical Modeling of Graphene Nanoribbon Field Effect Transistor Using Non-Equilibrium Green Function Approach for Integrated Circuit Design
… equation and 1D Schrödinger equations 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 …