NEGF Nanoscale Thermoelectric Simulator

Electrical and thermal quantum simulations of 1D nanoscale materials.

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This code simulates the 1D coupled transport in nanoscale materials. Both the electrical and thermal transport are simulated using a Non-equilibrium Green's function (NEGF) to solve the wave equation. The models handle the electron-phonon, electron-electron, and phonon-phonon interactions. The electrical model is a 1D effective mass description and the thermal model is a 1D atomistic description.

This code was specifically designed to investigate nanoscale thermoelectrics. More specifically, highly confined superlattice structures, where the periodicity is on the order of 5nm. In order to resolve the transport in these structures the discrete every levels were explicitly calculated. Both the thermal and electrical trasport is governed to first order how well these discrete energy levels align and the number of levels. The model is able to calculate the transport based solely on the energy level alignment (ballistic model) and the aforementioned interaction (dissipative model).

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Registered

2012-06-11
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