Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach
Lei Zhu, C. Richard A. Catlow, Qing Hou, Xingfan Zhang, John Buckeridge, Alexey A. Sokol
Abstract
We derive an empirical, lattice energy consistent interatomic force field model for wurtzite AlN to predict consistently a wide range of physical and defect properties.
Topics & Concepts
Wurtzite crystal structureMaterials scienceLattice (music)Condensed matter physicsInteratomic potentialRange (aeronautics)Statistical physicsMolecular dynamicsComputational chemistryPhysicsChemistryMetallurgyComposite materialZincAcousticsGaN-based semiconductor devices and materialsMetal and Thin Film MechanicsAcoustic Wave Resonator Technologies