Theory and Simulation of Moletronics Devices and Systems

Abstract

Suitable methods were developed and used to simulate the transport properties of moletronics devices in the context of experimental data obtained by other teams in the Moletronics Program. Several molecular devices were simulated successfully, explaining the data and providing information on the mechanisms that control the observed properties. Several predictions were made about devices that are yet to be fabricated.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1999
Accession Number
ADA399798

Entities

People

  • Sokrates T. Pantelides

Organizations

  • Vanderbilt University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Computational Science
  • Density Functional Theory
  • Electron Density
  • Electron Gas
  • Energy Bands
  • Energy Levels
  • Fermi Levels
  • First Principles Calculations
  • Materials
  • Materials Science
  • Molecular Electronics
  • Nanoparticles
  • Nanotechnology
  • Scattering
  • Semiconductors
  • Solid State Physics
  • Transport Properties

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Computer Science/Computer Engineering/Data Science/Digital Signal Processing.
  • Military Logistics and Supply Chain Management