Optical properties of heavy rare earth metals (Gd-Lu)

We report calculations of the optical properties of heavy rare earth metals (Gd-Lu) using the full potential linear augmented plane wave method with inclusion of spin orbit coupling. Calculations are performed using the LSDA and LSDA+U approximations. Our calculations show that LSDA+U gives a better representation of the band structure and density of states than LSDA. The optical conductivity with LSDA+U is in better agreement with experiment than that from LSDA at low energies. At high energies, LSDA and LSDA+U yield similar optical conductivities. We find a general shift in the structures of the optical conductivity towards higher energies on going from Gd to Lu. Optical conductivity is dominated by transitions between p and d states. Our results are in good agreement with experiment for all the rare earth metals considered.