Development of an atomistic/continous simulation tool for nanoelectronic devices
2010
The simulation of novel optoelectronic devices
is a great challenge for the engineering community.
The enoromous progress in device fabrication technology
allowed such a massive downscaling that geometrical
feature in the nanoscale play a crucial role.
Furthermore we have a great effort in exploring
alternative solutions respect to more traditional
semiconductor devices. It involves molecular
electronic, semiconductive polymers,
self-assembled structures, quasi-one dimensional
and two dimensional materials. In such scenario
it's crucial to develop modular simulation tools
able to connect different physical models
on different length scales. Quantum effect
play an important role and we need to take
them into account, avoiding anyway an explosion of the
computational complexity. Thus it's needed
to go in the direction of a multiscale approach,
which is already applied with success in
mechanical science.
The goal of this work is to include atomistic
description and atomistic models in TiberCAD,
a Technology CAD code for simulation of optoelectronic
devices which can rely on excellent instruments
for interfacing different models in a multyphisics/multiscale
environment. Atomistic models for the calculation
of strain, structure geometry and electronic states
have been included.
A novel technique for describing quantum
transport with an efficient algorithm is also presented.
These work wants to push TiberCAD
to be a reference tool for calculation of complex
optoeletronic devices at the nanoscale.
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