Electronic Density of States for Incommensurate Layers

Friday, May 19, 2017 - 10:20am - 10:40am
Keller 3-180
Daniel Massatt (University of Minnesota, Twin Cities)
We prove that the electronic density of states (DOS) for 2D incommensurate layered
structures, where Bloch theory does not apply, is well-defined as the
thermodynamic limit of finite clusters. In addition, we obtain an
explicit representation formula for the DOS as an integral over
local configurations.

Next, based on this representation formula, we propose a novel algorithm for
computing electronic structure properties in incommensurate heterostructures,
which overcomes limitations of the common approach to artificially strain a
large supercell and then apply Bloch theory.