Abstract
We report calculations of the optical and magneto-optical properties of elemental rare earth gadolinium using the full potential linear augmented plane wave method and including spin-orbit coupling. Calculations are performed within the local spin density approximation (LSDA) and Coulomb corrected local spin density approximation (LSDA+U). While LSDA+U gives better agreement for density of states and magnetic moments, a comparison with the experimental data shows that both LSDA and LSDA+U are at par in representing the diagonal components of the optical conductivity. For the much smaller off-diagonal components, interestingly, the LSDA results have an edge over the LSDA+U results.
| Original language | British English |
|---|---|
| Article number | 033523 |
| Journal | Journal of Applied Physics |
| Volume | 101 |
| Issue number | 3 |
| DOIs | |
| State | Published - 2007 |
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