Computing Equilibrium Shapes of Wurtzite Crystals: The Example of GaN
Computing Equilibrium Shapes of Wurtzite Crystals: The Example of GaN
Crystal morphologies are important for the design and functionality of devices based on low-dimensional nanomaterials. The equilibrium crystal shape (ECS) is a key quantity in this context. It is determined by surface energies, which are hard to access experimentally but can generally be well predicted by first-principles methods. Unfortunately, this …