Structure of solids ... density of Ni-rich local chemical inhomogeneity entities. Polarons arise from the interaction of extra charge carriers with the atomic lattice. Using first-principles ...

A molecule is a group of atoms held together ... Ionic compounds form what is known as a lattice structure. This is a regular arrangement of metal and non-metal ions which creates compounds ...

These experimental techniques were complemented by density-functional theory (DFT) calculations and extended Hubbard model simulations to understand the electronic structure and magnetic interactions.