DFT calculations of point defects on UN(001) surface

►Results for point defects on uranium nitride (001) surface are presented ►We use method of projector augmented waves as implemented in the VASP code ►We perform spin relaxation for perfect and defective UN(001) surface ►The formation energies indicate a clear trend for segregation towards the surface ►Covalent contribution to the U-N chemical bond is demonstrated