BYU

Abstract by John Christensen

Personal Infomation


Presenter's Name

John Christensen

Degree Level

Undergraduate

Co-Authors

Jeremy Jorgensen

Abstract Infomation


Department

Physics and Astronomy

Faculty Advisor

Gus Hart

Title

Why a Polygon is Mostly Pointless

Abstract

When performing materials calculations, one of the most computationally expensive calculations is performing an integral of the electronic band structure of a material. Integration techniques that rely on non-uniform sampling cannot utilize the full symmetry of the system. To ensure optimal symmetry reduction, calculations should be performed in the symmetrically irreducible Brillouin zone (IBZ). We present an algorithm for finding the IBZ for an arbitrary lattice.