Kavli Affiliate: Kristin Persson | First 5 Authors: David Mrdjenovich, Kristin Persson, , , | Summary: Three-dimensional lattices are fundamental to solid-state physics. The description of a lattice with an atomic basis constitutes the necessary information to predict solid phase properties and evolution. Here, we present a new algorithm for systematically exploring crystallographic phase space. […]
Continue.. A General Lattice and Basis Formalism Enabling Efficient and Discretized Exploration of Crystallographic Phase Space