# 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.

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.