G. Cocoletzi

First-Principles Study of Two-Dimensional CeN: Interplay between Structural Stability, Electronic Structure, and Magnetism

In this work, the structural stability, and the electronic and magnetic properties of a novel CeN monolayer derived from the (111) surface of bulk rock salt CeN are investigated using first-principles calculations. Dimensional reduction produces substantial changes in the local atomic environment, decreasing the Ce-N c...