Understanding the local structure, magnetism and optical properties in layered compounds with d9 ions: Insight into silver fluorides and K2CuF4

Inés Sánchez-Movellán, Guillermo Santamaría-Fernández, Pablo García-Fernández +2

Using first-principles DFT calculations, we analyze the origin of the different crystal structures, optical and magnetic properties of two basic families of layered fluoride materi…