ECE 59500 - Application Oriented Computational Nanotechnology - Part 1

Course Details

Lecture Hours: 1 Credits: 1

Counts as:

  • EE Elective
  • CMPE Selective - Special Content

Normally Offered:

Each Fall


On-campus and online


(ECE 20002 or ECE 25500) and (PHYS 27200 or PHYS 24100) and (MA 26600 or MA 26200 or MA 36600) and (CS 15900 or ECE 26400 or ECE 20875); Recommended: ECE 50631, 50632, 50633

Requisites by Topic:

Basic quantum mechanics, familiarity with the lead structure and basic electrical characteristics, rudimentary differential equations, some basic coding skills ideally in Python

Catalog Description:

The application oriented computational nanotechnology course sequence aims to train semiconductor engineers in how to model nanodevices with state-of-the-art quantum transport simulation tools. The emphasis lies here on acquiring the understanding which of the commonly available electronic models is appropriate for which device type, how to interpret typically available simulation results and how to reliably distinguish numerical artifacts from physically meaning device features. With the downscaling of modern semiconductor devices to the nanometer and atomistic lengthscales, semiconductor engineers have to interpret device behavior in a regime often considered unintuitive. Simulations are the most important tools to help them understand the device performance and identify ways to improve it in that nanoscale regime. Usage of those tools requires, however, sufficient understanding of their control parameters, their underlying methods and most importantly common pitfalls that open when the tools are used with the wrong settings. This class sequence trains students by guiding them to implement their own quantum transport simulation tool and connect it to Purdue's quantum code library. This way the students get hands-on experience in how to validate quantum transport tools, how to interpret simulation results and how to run state-of-the-art professional simulation engines. Part 1 of the class sequence covers basic concepts such as how to utilize transmission and density of states to validate simulation setups, how to ensure reliable convergence and numerical efficiency for nanodevices with few or many resonant states (such as nanosheets and nanowire transistors, FinFETs, quantum dots and quantum sensors).

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 , 3rd Edition , W. Press, S. Teukolsky, W. Vetterling, B. Flannery , Cambridge University Press , 2007 , ISBN No. 0521880688

Lecture Outline:

Major Topics
1 Course overview and introduction to open vs. closed boundary models
2 Discretizing electronic operators and quantum transport in single band space
3 Validating transmission and spectral function vs. analytical models
4 Resonant states - resolving energy space to convergence
5 Inhomogenous real space mesh
6 Steps to higher dimensions 2D and 3D
7 Overview of common bandstructure and transport models
8 Nonanalytical lead models
9 Mode space - physics behind low rank approximations
10 Outlook beyond the basics

Assessment Method:

Exams, quizzes (4.2024)