Tools for Modeling & Simulation of Molecular and Nanoelectronics Devices
Abstract
Report developed under STTR contract for topic AF10-BT21. We have investigated the development of new multiscale methods that combine atomic-scale modeling of the active part of nano-sized electronic devices with continuum models of the surrounding passive parts. The methods are based on highly parallel algorithms to allow for simulations of realistic device structures. In Phase II, these methods will be developed and will be integrated into a new multiscale simulation module to the ATK package from the company QuantumWise. The resulting simulation package will be validated by a consortium of leading nanoscale device simulation groups in academia and industry, and used to address important problems in nano-science and semiconductor research and development. Additionally to investigating the feasibility of the Phase II activities, in Phase I we implemented a mechanism to allow the integration of other simulation engines into the ATK package. This allows these codes, which are all of academic origin to date, to be driven from within the ATK GUI, thereby making them far easier to access.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 14, 2012
- Accession Number
- ADA577319
Entities
People
- Anthony Waitz
- Jerzy Bernholc
- Kurt Stokbro