A General Algorithm for Calculating Irreducible Brillouin Zones

DOI10.4208/cicp.OA-2021-0094MaRDI QIDQ5065183

Tyler J. Jarvis, John E. Christensen, Jeremy J. Jorgensen, Gus L. W. Hart

Publication date: 18 March 2022

Published in: Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2104.05856

zbMATH Keywords

Brillouin zoneirreducible Brillouin zone

Mathematics Subject Classification ID

Analysis of algorithms (68W40) Lattices and convex bodies in (n) dimensions (aspects of discrete geometry) (52C07) Computational aspects related to convexity (52B55) Computer graphics; computational geometry (digital and algorithmic aspects) (68U05) Other geometric groups, including crystallographic groups (20H15) Relations of manifolds and cell complexes with physics (57Z05) Relations of manifolds and cell complexes with chemistry (57Z15)

Uses Software

• Qhull
• Julia
• Bilbao Crystallography Server
• pymatgen
• GitHub

Cites Work

• Unnamed Item
• Numerical quadrature in the Brillouin zone for periodic Schrödinger operators
• A procedure for the construction of Voronoi polyhedra
• Brillouin-zone database on theBilbao Crystallographic Server
• Julia: A Fresh Approach to Numerical Computing
• The quickhull algorithm for convex hulls

This page was built for publication: A General Algorithm for Calculating Irreducible Brillouin Zones