First-principles theory of low-energy electron diffraction and quantum interference in few-layer graphene
- Resource Type
- Working Paper
- Authors
- McClain, John F.; Sun, Jiebing; Pohl, Karsten; Tang, Jian-Ming
- Source
- Subject
- Condensed Matter - Materials Science
Condensed Matter - Mesoscale and Nanoscale Physics
- Language
We present a computationally efficient method to incorporate density-functional theory into the calculation of reflectivity in low-energy electron microscopy. The reflectivity is determined by matching plane waves representing the electron beams to the Kohn-Sham wave functions calculated for a finite slab in a supercell. We show that the observed quantum interference effects in the reflectivity spectra of a few layers of graphene on a substrate can be reproduced well by the calculations using a moderate slab thickness.
Comment: 5 pages, 4 Figures