Evan Wilson

Atomistic simulation of carrier mobility in nanowires

Objective:

  • Simulate disordered and low dimensional heterostructure systems accurately.

Problem:

  • Need method with good compromise between computation time and transferability, accuracy.

Approach:

  • EHT, a non-orthogonal tight-binding model originally developed for chemistry.
  • Fewer parameters than traditional tight-binding, interatomic couplings computed at run time.