Abstract
The isostructral Zintl compounds EuIn 2X 2 (X=P,As) are investigated within density functional theory. We employ the local spin density approximation with onsite interaction (LSDA+U) for varying U from 0 eV to 7 eV to model the Coulomb repulsion of the Eu 4f electrons. The LSDA+U optical conductivity disagrees with the experimental spectrum, while the simple LSDA is successful. Contrary to the expectation, it is found that EuIn 2X 2 (X=P,As) has a large oscillator strength for the f → d transitions in the low-energy range (below 1.5 eV) in which effects of the joint density of states play a key role. The materials show a sizeable magneto-optical Kerr effect.
Original language | British English |
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Article number | 151906 |
Journal | Applied Physics Letters |
Volume | 100 |
Issue number | 15 |
DOIs | |
State | Published - 9 Apr 2012 |