ECE 59500 - Application Oriented Computational Nanotechnology: Coherent Transport

Course Details

Lecture Hours: 3 Credits: 3

Areas of Specialization:

  • Microelectronics and Nanotechnology

Counts as:

  • EE Elective
  • CMPE Selective - Special Content

Normally Offered:

Each Fall

Campus/Online:

On-campus and online

Requisites:

ECE 30500 or [ECE 50631 and ECE 50632 and ECE 50633] AND ECE 50632

Requisites by Topic:

Python coding, basic quantum mechanics, at least rudimentary knowledge of differential equations

Catalog Description:

Simulations are the best way to understand nanoscale and atomic processes in modern nanodevices. The application oriented computational nanotechnology courses train advanced undergraduate and graduate students how to simulate the performance of electrons in nanodevices and at atomistic scales with state-of-the-art quantum models on notebooks and small compute clusters. The course assignments guide students step-by-step to implement their own quantum transport simulation tool. AOCN: coherent transport teaches how to model charge transport in 1D, 2D, and 3D nanodevices, how to design quantum mechanical waves in quantum dots and nanoribbons, how to predict spin Hall effects and how to systematically reduce the numerical complexity without lowering the predictive power of their models. This class readies students for application engineer and nanodevice design work. The students' understanding and confidence in quantum mechanics will increase significantly in this class.

Required Text(s):

  1. Electronic Transport in Mesoscopic Systems , Datta, Supriyo , Cambridge University Press , 2013 , ISBN No. 978-0521599436

Recommended Text(s):

  1. Numerical Recipes: The Art of Scientific Computing , Third Edition , W. Press, S. Teukolsky, W. Vetterling, B. Flannery , Cambridge University Press , 2007 , ISBN No. 0521880688

Learning Outcomes

A student who successfully fulfills the course requirements will have demonstrated:

  • a solid understanding of electronic device models
  • proficiency in discretizing and solving NEGF
  • a thorough ability in validating nanodevice simulation tools
  • skills in interpretation of quantum transport simulation results

Lecture Outline:

Week Week
1 Course overview and open vs. closed boundaries
1 Discretizing electronic operators and quantum transport in single band real space
1 Validation of code implementation - transmission and spectral function
1 Resolving and understanding resonant states
1 First steps in wave function design
1 Density, current and other observables
1 Inhomogeneous real space discretization
1 Higher dimensional systems - convert 1D into 2D and 3D
1 Higher dimensional applications: Quantum dots
1 Nonanalytical lead methods
1 2 band case: Spin orbit coupling
1 Spin Hall effect calculations
1 Mode space - physics behind low-rank approximations
1 Atomistic tight binding simulations
1 Outlook for other AOCN parts

Assessment Method:

Quizzes, homework (5/2025)